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

C18H22FNO — CID 115789718

IUPACN-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C)c1)c1ccc(F)c(OC)c1
InChIInChI=1S/C18H22FNO/c1-4-10-20-18(14-7-5-6-13(2)11-14)15-8-9-16(19)17(12-15)21-3/h5-9,11-12,18,20H,4,10H2,1-3H3
InChIKeyMVTWIAQBRYKMQE-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.23
Rot. Bonds6

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

N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine (PubChem CID 115789718) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine
PubChem CID115789718
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C)c1)c1ccc(F)c(OC)c1
InChIInChI=1S/C18H22FNO/c1-4-10-20-18(14-7-5-6-13(2)11-14)15-8-9-16(19)17(12-15)21-3/h5-9,11-12,18,20H,4,10H2,1-3H3
InChIKeyMVTWIAQBRYKMQE-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 115790055
N-[(3-bromo-4-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine
CID 43493872
N-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 81283095
N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43488776
N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 43498202
(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methanol
CID 114977925
N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine
CID 43494597
N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81288473
N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 43496515
N-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 62790493
N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43494013
N-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 115785590

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine (CID 115789718) is N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine is CCCNC(c1cccc(C)c1)c1ccc(F)c(OC)c1.
What is the InChIKey of N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine?
The InChIKey is MVTWIAQBRYKMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-10-20-18(14-7-5-6-13(2)11-14)15-8-9-16(19)17(12-15)21-3/h5-9,11-12,18,20H,4,10H2,1-3H3.
What are the key properties of N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine?
N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.23, 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-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115789718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).