4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine

C15H23FN2 — CID 115213421

IUPAC4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine
SMILESCc1cc(CNCC2CCC(N)CC2)ccc1F
InChIInChI=1S/C15H23FN2/c1-11-8-13(4-7-15(11)16)10-18-9-12-2-5-14(17)6-3-12/h4,7-8,12,14,18H,2-3,5-6,9-10,17H2,1H3
InChIKeyJTLSSZBPYMLBGJ-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.74
Rot. Bonds4

About 4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine

4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine (PubChem CID 115213421) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine
PubChem CID115213421
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine
SMILESCc1cc(CNCC2CCC(N)CC2)ccc1F
InChIInChI=1S/C15H23FN2/c1-11-8-13(4-7-15(11)16)10-18-9-12-2-5-14(17)6-3-12/h4,7-8,12,14,18H,2-3,5-6,9-10,17H2,1H3
InChIKeyJTLSSZBPYMLBGJ-UHFFFAOYSA-N
XLogP2.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(cyclopropylmethylamino)methyl]-2-methylaniline
CID 61150758
1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43434536
4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213417
4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 115239906
3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 115639477
3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 119698450
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
4-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213420
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43220454
4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine
CID 63453712
N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 66472811
4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213416

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine (CID 115213421) is 4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine is Cc1cc(CNCC2CCC(N)CC2)ccc1F.
What is the InChIKey of 4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine?
The InChIKey is JTLSSZBPYMLBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11-8-13(4-7-15(11)16)10-18-9-12-2-5-14(17)6-3-12/h4,7-8,12,14,18H,2-3,5-6,9-10,17H2,1H3.
What are the key properties of 4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine?
4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine has a molecular weight of 250.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 115213421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).