N-[(2,5-difluorophenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C17H23F2N — CID 63793739

IUPACN-[(2,5-difluorophenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESFc1ccc(F)c(CNC2CCC3CCCCC3C2)c1
InChIInChI=1S/C17H23F2N/c18-15-6-8-17(19)14(9-15)11-20-16-7-5-12-3-1-2-4-13(12)10-16/h6,8-9,12-13,16,20H,1-5,7,10-11H2
InChIKeyYMHWIHDQCMKBRL-UHFFFAOYSA-N
MW279.37 g/mol
LogP4.41
Rot. Bonds3

About N-[(2,5-difluorophenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-[(2,5-difluorophenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 63793739) has the molecular formula C17H23F2N and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID63793739
Molecular FormulaC17H23F2N
Molecular Weight279.37 g/mol
Exact Mass279.18
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESFc1ccc(F)c(CNC2CCC3CCCCC3C2)c1
InChIInChI=1S/C17H23F2N/c18-15-6-8-17(19)14(9-15)11-20-16-7-5-12-3-1-2-4-13(12)10-16/h6,8-9,12-13,16,20H,1-5,7,10-11H2
InChIKeyYMHWIHDQCMKBRL-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2,5-difluorophenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine with MolForge

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Related Compounds

3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol
CID 43751094
N-[(2,5-difluorophenyl)methyl]-1,1-dioxothian-4-amine
CID 43614880
N-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43222915
2-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]cyclohexan-1-amine
CID 106365209
1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43745932
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 115560640
2-[(cyclooctylamino)methyl]-4-fluorophenol
CID 103947924
N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43709240
N-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 54911490
N-[[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine
CID 63807461
1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 63794443
1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine
CID 79459161

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 63793739) is N-[(2,5-difluorophenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is Fc1ccc(F)c(CNC2CCC3CCCCC3C2)c1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is YMHWIHDQCMKBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N/c18-15-6-8-17(19)14(9-15)11-20-16-7-5-12-3-1-2-4-13(12)10-16/h6,8-9,12-13,16,20H,1-5,7,10-11H2.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-[(2,5-difluorophenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 279.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 63793739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).