N-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]propan-1-amine

C18H22FNO — CID 115785590

IUPACN-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC)c1)c1ccc(C)cc1F
InChIInChI=1S/C18H22FNO/c1-4-10-20-18(14-6-5-7-15(12-14)21-3)16-9-8-13(2)11-17(16)19/h5-9,11-12,18,20H,4,10H2,1-3H3
InChIKeyATLIOODELYWSJD-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.23
Rot. Bonds6

About N-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]propan-1-amine

N-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]propan-1-amine (PubChem CID 115785590) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]propan-1-amine
PubChem CID115785590
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC)c1)c1ccc(C)cc1F
InChIInChI=1S/C18H22FNO/c1-4-10-20-18(14-6-5-7-15(12-14)21-3)16-9-8-13(2)11-17(16)19/h5-9,11-12,18,20H,4,10H2,1-3H3
InChIKeyATLIOODELYWSJD-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-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 62501795
[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105283579
N-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 107991862
N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66272903
N-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831680
N-[(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561563
N-[(3,6-dimethylpyridazin-4-yl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 105086625
N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 43494797
N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43562123
N-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine
CID 43562127
N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 115785453
N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine
CID 115789718

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]propan-1-amine (CID 115785590) is N-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1cccc(OC)c1)c1ccc(C)cc1F.
What is the InChIKey of N-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is ATLIOODELYWSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-10-20-18(14-6-5-7-15(12-14)21-3)16-9-8-13(2)11-17(16)19/h5-9,11-12,18,20H,4,10H2,1-3H3.
What are the key properties of N-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]propan-1-amine?
N-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)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-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115785590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).