1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine

C17H26FN — CID 105373056

IUPAC1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(Cc2cc(F)ccc2C)CC1
InChIInChI=1S/C17H26FN/c1-3-4-14-7-9-17(19,10-8-14)12-15-11-16(18)6-5-13(15)2/h5-6,11,14H,3-4,7-10,12,19H2,1-2H3
InChIKeyCRPVTWXRSXCBHE-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.36
Rot. Bonds4

About 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine

1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine (PubChem CID 105373056) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine
PubChem CID105373056
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(Cc2cc(F)ccc2C)CC1
InChIInChI=1S/C17H26FN/c1-3-4-14-7-9-17(19,10-8-14)12-15-11-16(18)6-5-13(15)2/h5-6,11,14H,3-4,7-10,12,19H2,1-2H3
InChIKeyCRPVTWXRSXCBHE-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcycloheptan-1-amine
CID 105373119
1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63407677
1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114853406
1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol
CID 55186945
[2-(5-fluoro-2-methylphenyl)-1-(4-propylcyclohexyl)ethyl]hydrazine
CID 105377829
1-(3,4-dimethylphenyl)-4-propylcyclohexan-1-amine
CID 55187144
2-[(5-fluoro-2-methylphenyl)methyl]-1,3-dihydroinden-2-amine
CID 105373067
2-[(5-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 105373089
2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105373066
1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65425034
4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine
CID 103050990
3-fluoro-3-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105376474

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine (CID 105373056) is 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(N)(Cc2cc(F)ccc2C)CC1.
What is the InChIKey of 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine?
The InChIKey is CRPVTWXRSXCBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-3-4-14-7-9-17(19,10-8-14)12-15-11-16(18)6-5-13(15)2/h5-6,11,14H,3-4,7-10,12,19H2,1-2H3.
What are the key properties of 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine?
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 105373056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).