N-[(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine

C17H24FNO — CID 107688657

IUPACN-[(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(OC2C=CCCC2)c(F)c1
InChIInChI=1S/C17H24FNO/c1-17(2,3)19-12-13-9-10-16(15(18)11-13)20-14-7-5-4-6-8-14/h5,7,9-11,14,19H,4,6,8,12H2,1-3H3
InChIKeyPZCGPKNBRWUPTJ-UHFFFAOYSA-N
MW277.38 g/mol
LogP4.20
Rot. Bonds4

About N-[(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine

N-[(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine (PubChem CID 107688657) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is N-[(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine
PubChem CID107688657
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC NameN-[(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(OC2C=CCCC2)c(F)c1
InChIInChI=1S/C17H24FNO/c1-17(2,3)19-12-13-9-10-16(15(18)11-13)20-14-7-5-4-6-8-14/h5,7,9-11,14,19H,4,6,8,12H2,1-3H3
InChIKeyPZCGPKNBRWUPTJ-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 107688391
N-[(3,5-dibromo-4-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107743748
N-[1-(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethyl]propan-1-amine
CID 114619942
N-[(4-cyclohexyloxy-3,5-difluorophenyl)methyl]-2-methylpropan-2-amine
CID 79883669
N-[(3-chloro-4-cycloheptyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 82927497
2-[4-cyclohex-2-en-1-yloxy-3-(trifluoromethyl)phenyl]ethanamine
CID 114620693
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 103848215
N-[(3-chloro-4-cyclohex-2-en-1-yloxyphenyl)methyl]propan-1-amine
CID 114619759
N-[(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)methyl]propan-2-amine
CID 114619873
N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine
CID 107687057
N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 59768400
3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]propane-1,2-diol
CID 107688548

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine (CID 107688657) is N-[(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(OC2C=CCCC2)c(F)c1.
What is the InChIKey of N-[(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is PZCGPKNBRWUPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-17(2,3)19-12-13-9-10-16(15(18)11-13)20-14-7-5-4-6-8-14/h5,7,9-11,14,19H,4,6,8,12H2,1-3H3.
What are the key properties of N-[(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine?
N-[(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 277.38 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107688657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).