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

C18H22FNO — CID 62121628

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine
SMILESCCC(NCc1ccc(F)c(C)c1)c1ccc(OC)cc1
InChIInChI=1S/C18H22FNO/c1-4-18(15-6-8-16(21-3)9-7-15)20-12-14-5-10-17(19)13(2)11-14/h5-11,18,20H,4,12H2,1-3H3
InChIKeyKHTRSOOAXMYPCH-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.38
Rot. Bonds6

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

N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine (PubChem CID 62121628) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine
PubChem CID62121628
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine
SMILESCCC(NCc1ccc(F)c(C)c1)c1ccc(OC)cc1
InChIInChI=1S/C18H22FNO/c1-4-18(15-6-8-16(21-3)9-7-15)20-12-14-5-10-17(19)13(2)11-14/h5-11,18,20H,4,12H2,1-3H3
InChIKeyKHTRSOOAXMYPCH-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methoxyphenyl)propan-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

(1R)-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371436
1-(4-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 43206327
N-[(2,4-dichlorophenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43224584
1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43823991
[1-(4-fluoro-3-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105204009
1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 43194840
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449
N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43078211
1-(3,4-difluorophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62121099
N-ethyl-1-[4-(4-fluoro-3-methylphenyl)phenyl]propan-1-amine
CID 63424528
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43081616
3,4,5-trifluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 62809328

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine (CID 62121628) is N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine is CCC(NCc1ccc(F)c(C)c1)c1ccc(OC)cc1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine?
The InChIKey is KHTRSOOAXMYPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-18(15-6-8-16(21-3)9-7-15)20-12-14-5-10-17(19)13(2)11-14/h5-11,18,20H,4,12H2,1-3H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine?
N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 62121628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).