[5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]methanamine

C25H29F3N2O — CID 141121609

IUPAC[5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]methanamine
SMILESNCc1ccc2c(c1)CCCC2=NOCc1ccc(C2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C25H29F3N2O/c26-25(27,28)23-14-18(10-11-21(23)19-5-2-1-3-6-19)16-31-30-24-8-4-7-20-13-17(15-29)9-12-22(20)24/h9-14,19H,1-8,15-16,29H2
InChIKeyBXUMIPMODVWBQQ-UHFFFAOYSA-N
MW430.51 g/mol
LogP6.47
Rot. Bonds5

About [5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]methanamine

[5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]methanamine (PubChem CID 141121609) has the molecular formula C25H29F3N2O and a molecular weight of 430.51 g/mol. Its IUPAC name is [5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]methanamine.

Molecular Properties

Compound Name[5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]methanamine
PubChem CID141121609
Molecular FormulaC25H29F3N2O
Molecular Weight430.51 g/mol
Exact Mass430.22
IUPAC Name[5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]methanamine
SMILESNCc1ccc2c(c1)CCCC2=NOCc1ccc(C2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C25H29F3N2O/c26-25(27,28)23-14-18(10-11-21(23)19-5-2-1-3-6-19)16-31-30-24-8-4-7-20-13-17(15-29)9-12-22(20)24/h9-14,19H,1-8,15-16,29H2
InChIKeyBXUMIPMODVWBQQ-UHFFFAOYSA-N
XLogP6.47
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[(8E)-8-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]-6,7-dihydro-5H-naphthalen-2-yl]methylamino]propanoic acid
CID 11214246
3-[[(5E)-5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]methylamino]propanoic acid
CID 11295041
3-[[8-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]-6,7-dihydro-5H-naphthalen-2-yl]methylamino]propanoic acid
CID 72753720
3-{[5-(4-Cyclohexyl-3-trifluoromethyl-benzyloxyimino)-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl]-amino}-propionic acid
CID 72787862
3-[[(5Z)-5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]methylamino]propanoic acid
CID 87235511
(E)-N-[[4-Cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(3-ethyl-4-methylphenyl)ethanimine
CID 124128423
(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-[3-ethyl-4-[(3-methylazetidin-1-yl)methyl]phenyl]ethanimine
CID 126686462
N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanimine
CID 140266085
(E)-1-[4-(azetidin-1-ylmethyl)-3-ethylphenyl]-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 140961415
[2-chloro-4-[N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]phenyl]methanamine
CID 141101154
[2-bromo-4-[N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]phenyl]methanamine
CID 141101156
[4-[N-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]phenyl]methanamine
CID 141101161

Frequently Asked Questions

What is the IUPAC name of [5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]methanamine?
The IUPAC name of [5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]methanamine (CID 141121609) is [5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]methanamine.
What is the SMILES notation for [5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]methanamine?
The canonical SMILES for [5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]methanamine is NCc1ccc2c(c1)CCCC2=NOCc1ccc(C2CCCCC2)c(C(F)(F)F)c1.
What is the InChIKey of [5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]methanamine?
The InChIKey is BXUMIPMODVWBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N2O/c26-25(27,28)23-14-18(10-11-21(23)19-5-2-1-3-6-19)16-31-30-24-8-4-7-20-13-17(15-29)9-12-22(20)24/h9-14,19H,1-8,15-16,29H2.
What are the key properties of [5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]methanamine?
[5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]methanamine has a molecular weight of 430.51 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]methanamine is sourced from PubChem (CID 141121609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).