4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine

C18H28FNO — CID 65020505

IUPAC4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
SMILESCCCCC1CCC(N)(Cc2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C18H28FNO/c1-3-4-5-14-8-10-18(20,11-9-14)13-15-6-7-17(21-2)16(19)12-15/h6-7,12,14H,3-5,8-11,13,20H2,1-2H3
InChIKeyZHXRVHAALLYIAA-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.45
Rot. Bonds6

About 4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine

4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine (PubChem CID 65020505) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
PubChem CID65020505
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
SMILESCCCCC1CCC(N)(Cc2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C18H28FNO/c1-3-4-5-14-8-10-18(20,11-9-14)13-15-6-7-17(21-2)16(19)12-15/h6-7,12,14H,3-5,8-11,13,20H2,1-2H3
InChIKeyZHXRVHAALLYIAA-UHFFFAOYSA-N
XLogP4.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-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

4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene
CID 139708741
4-butyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexan-1-amine
CID 65020287
1-[(3,4-difluorophenyl)methyl]-4-propylcycloheptan-1-amine
CID 82919808
1-[(4-bromophenyl)methyl]-4-butylcyclohexan-1-amine
CID 65020237
3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64595828
[4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine
CID 82925896
4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine
CID 103050990
4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine
CID 65020395
3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538891
1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine
CID 65086410
1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 107883803
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylcycloheptan-1-amine
CID 65086350

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine (CID 65020505) is 4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine is CCCCC1CCC(N)(Cc2ccc(OC)c(F)c2)CC1.
What is the InChIKey of 4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine?
The InChIKey is ZHXRVHAALLYIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-3-4-5-14-8-10-18(20,11-9-14)13-15-6-7-17(21-2)16(19)12-15/h6-7,12,14H,3-5,8-11,13,20H2,1-2H3.
What are the key properties of 4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine?
4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 65020505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).