1-[[(2,3-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine

C17H26F2N2 — CID 61212677

IUPAC1-[[(2,3-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(CNCc2cccc(F)c2F)(N(C)C)C1
InChIInChI=1S/C17H26F2N2/c1-13-6-5-9-17(10-13,21(2)3)12-20-11-14-7-4-8-15(18)16(14)19/h4,7-8,13,20H,5-6,9-12H2,1-3H3
InChIKeyLRTICKOGAXLTFR-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.56
Rot. Bonds5

About 1-[[(2,3-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine

1-[[(2,3-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 61212677) has the molecular formula C17H26F2N2 and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-[[(2,3-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[[(2,3-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID61212677
Molecular FormulaC17H26F2N2
Molecular Weight296.40 g/mol
Exact Mass296.21
IUPAC Name1-[[(2,3-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(CNCc2cccc(F)c2F)(N(C)C)C1
InChIInChI=1S/C17H26F2N2/c1-13-6-5-9-17(10-13,21(2)3)12-20-11-14-7-4-8-15(18)16(14)19/h4,7-8,13,20H,5-6,9-12H2,1-3H3
InChIKeyLRTICKOGAXLTFR-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2,3-dichlorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 63456138
1-[[(2,4-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61211353
1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 63452843
1-[[(4-bromo-3-fluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 81431518
trans-(1S,3R)-N,N,3-trimethyl-1-[(pyridin-4-ylmethylamino)methyl]cyclohexan-1-amine
CID 129366227
1-(2,3-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63820897
N,N,3-trimethyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 61212484
4-[[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]methyl]benzene-1,2-diol
CID 61212854
1-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 115762055
1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine
CID 43658793
N'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 63318484
1-[[1-(4-fluorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61210973

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,3-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[[(2,3-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 61212677) is 1-[[(2,3-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[[(2,3-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[[(2,3-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine is CC1CCCC(CNCc2cccc(F)c2F)(N(C)C)C1.
What is the InChIKey of 1-[[(2,3-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is LRTICKOGAXLTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2/c1-13-6-5-9-17(10-13,21(2)3)12-20-11-14-7-4-8-15(18)16(14)19/h4,7-8,13,20H,5-6,9-12H2,1-3H3.
What are the key properties of 1-[[(2,3-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[[(2,3-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 296.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,3-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 61212677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).