4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine

C15H22FN — CID 116926309

IUPAC4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(Cc2ccc(F)c(C)c2)CC1
InChIInChI=1S/C15H22FN/c1-11-9-13(5-8-15(11)16)10-12-3-6-14(17-2)7-4-12/h5,8-9,12,14,17H,3-4,6-7,10H2,1-2H3
InChIKeyIUQOAXSHHHPESG-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.45
Rot. Bonds3

About 4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine

4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 116926309) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID116926309
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(Cc2ccc(F)c(C)c2)CC1
InChIInChI=1S/C15H22FN/c1-11-9-13(5-8-15(11)16)10-12-3-6-14(17-2)7-4-12/h5,8-9,12,14,17H,3-4,6-7,10H2,1-2H3
InChIKeyIUQOAXSHHHPESG-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926377
3-[(4-fluoro-3-methylphenyl)methyl]cyclobutan-1-amine
CID 116926413
N-methyl-4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine
CID 116926389
3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 103041633
4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine
CID 63453712
4-(cyclopropylmethyl)-2-methylaniline
CID 131504223
N-methyl-4-[(4-methylsulfanylphenyl)methyl]cyclohexan-1-amine
CID 116926358
2-amino-5-[[4-(methylamino)cyclohexyl]methyl]benzenethiol
CID 116998405
4-[(4-tert-butylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926303
2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene
CID 155293823
5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydroindol-2-one
CID 116926337
4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213421

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine (CID 116926309) is 4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine is CNC1CCC(Cc2ccc(F)c(C)c2)CC1.
What is the InChIKey of 4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is IUQOAXSHHHPESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11-9-13(5-8-15(11)16)10-12-3-6-14(17-2)7-4-12/h5,8-9,12,14,17H,3-4,6-7,10H2,1-2H3.
What are the key properties of 4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine?
4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116926309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).