1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine

C15H22FN — CID 54919033

IUPAC1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(F)c1)C1CCCCC1
InChIInChI=1S/C15H22FN/c1-11-8-9-13(10-14(11)16)15(17-2)12-6-4-3-5-7-12/h8-10,12,15,17H,3-7H2,1-2H3
InChIKeyQPDASBCJBMBGSH-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.97
Rot. Bonds3

About 1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine

1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine (PubChem CID 54919033) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
PubChem CID54919033
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(F)c1)C1CCCCC1
InChIInChI=1S/C15H22FN/c1-11-8-9-13(10-14(11)16)15(17-2)12-6-4-3-5-7-12/h8-10,12,15,17H,3-7H2,1-2H3
InChIKeyQPDASBCJBMBGSH-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-difluorocyclohexyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130403
1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62587575
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 107130447
1-cyclopropyl-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484588
1-(4-bromo-3-methylphenyl)-1-cycloheptyl-N-methylmethanamine
CID 105027806
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107128830
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
1-cycloheptyl-N-methyl-1-(3-methylphenyl)methanamine
CID 65399402
1-cyclohexyl-N-methyl-1-(3-methylphenyl)methanamine
CID 60818000
1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 114886204
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
1-cycloheptyl-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482256

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine (CID 54919033) is 1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine is CNC(c1ccc(C)c(F)c1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The InChIKey is QPDASBCJBMBGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11-8-9-13(10-14(11)16)15(17-2)12-6-4-3-5-7-12/h8-10,12,15,17H,3-7H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine has a molecular weight of 235.35 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 54919033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).