1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine

C18H29FN2 — CID 63452843

IUPAC1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCc1cc(CNCC2(N(C)C)CCCC(C)C2)ccc1F
InChIInChI=1S/C18H29FN2/c1-14-6-5-9-18(11-14,21(3)4)13-20-12-16-7-8-17(19)15(2)10-16/h7-8,10,14,20H,5-6,9,11-13H2,1-4H3
InChIKeyWBLGCGXSWOZIDW-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.73
Rot. Bonds5

About 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine

1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 63452843) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID63452843
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCc1cc(CNCC2(N(C)C)CCCC(C)C2)ccc1F
InChIInChI=1S/C18H29FN2/c1-14-6-5-9-18(11-14,21(3)4)13-20-12-16-7-8-17(19)15(2)10-16/h7-8,10,14,20H,5-6,9,11-13H2,1-4H3
InChIKeyWBLGCGXSWOZIDW-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine with MolForge

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Related Compounds

1-[[(4-bromo-3-fluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 81431518
4-[[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]methyl]benzene-1,2-diol
CID 61212854
1-[[(2,3-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212677
1-[[(2,4-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61211353
trans-(1S,3R)-N,N,3-trimethyl-1-[(pyridin-4-ylmethylamino)methyl]cyclohexan-1-amine
CID 129366227
N,N,3-trimethyl-1-[[(5-methyl-3-pyridinyl)methylamino]methyl]cyclohexan-1-amine
CID 102880778
1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114623
N,N,3-trimethyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 61212484
1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclopropan-1-amine
CID 115256614
1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 79175035
1-[[(4-bromo-3-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 81002628
1-[[(2,3-dichlorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 63456138

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 63452843) is 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine is Cc1cc(CNCC2(N(C)C)CCCC(C)C2)ccc1F.
What is the InChIKey of 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is WBLGCGXSWOZIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-14-6-5-9-18(11-14,21(3)4)13-20-12-16-7-8-17(19)15(2)10-16/h7-8,10,14,20H,5-6,9,11-13H2,1-4H3.
What are the key properties of 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 63452843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).