N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine

C16H24FNO — CID 114981149

IUPACN-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(OC)c1)C1CCCCC1
InChIInChI=1S/C16H24FNO/c1-3-18-16(12-7-5-4-6-8-12)13-9-10-14(17)15(11-13)19-2/h9-12,16,18H,3-8H2,1-2H3
InChIKeyRKGHHSSNGZNBDC-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.07
Rot. Bonds5

About N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine

N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine (PubChem CID 114981149) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
PubChem CID114981149
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(OC)c1)C1CCCCC1
InChIInChI=1S/C16H24FNO/c1-3-18-16(12-7-5-4-6-8-12)13-9-10-14(17)15(11-13)19-2/h9-12,16,18H,3-8H2,1-2H3
InChIKeyRKGHHSSNGZNBDC-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine 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

N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 105027607
N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62587576
N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 105027735
N-[(3-bromo-4-methoxyphenyl)-cyclooctylmethyl]ethanamine
CID 65018549
N-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 79747514
N-[(4-fluoro-3-methoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855741
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724
cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
CID 83824510
cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol
CID 115829463
(1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
CID 83059190
N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 65299109
1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62587575

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine (CID 114981149) is N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(F)c(OC)c1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine?
The InChIKey is RKGHHSSNGZNBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-18-16(12-7-5-4-6-8-12)13-9-10-14(17)15(11-13)19-2/h9-12,16,18H,3-8H2,1-2H3.
What are the key properties of N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine?
N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine has a molecular weight of 265.37 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 114981149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).