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

C18H22FNO — CID 43498303

IUPACN-[(3-fluoro-4-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)c(F)c1)c1ccccc1C
InChIInChI=1S/C18H22FNO/c1-4-11-20-18(15-8-6-5-7-13(15)2)14-9-10-17(21-3)16(19)12-14/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyJGRXRNJQEIAKEL-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.23
Rot. Bonds6

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

N-[(3-fluoro-4-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine (PubChem CID 43498303) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
PubChem CID43498303
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)c(F)c1)c1ccccc1C
InChIInChI=1S/C18H22FNO/c1-4-11-20-18(15-8-6-5-7-13(15)2)14-9-10-17(21-3)16(19)12-14/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyJGRXRNJQEIAKEL-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-[(3-methoxy-4-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794735
N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 43496515
N-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 79700808
N-[(4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 65237606
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 79722130
N-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792566
N-[(4-chloro-3-methoxyphenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 79699083
N-[(5-bromo-4-methylthiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 79976687
N-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794619
N-[(2,4-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 43493809
N-[(3-fluoro-4-methoxyphenyl)-(2-methylsulfanylphenyl)methyl]ethanamine
CID 79212686
N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493633

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine (CID 43498303) is N-[(3-fluoro-4-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(OC)c(F)c1)c1ccccc1C.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine?
The InChIKey is JGRXRNJQEIAKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-11-20-18(15-8-6-5-7-13(15)2)14-9-10-17(21-3)16(19)12-14/h5-10,12,18,20H,4,11H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine?
N-[(3-fluoro-4-methoxyphenyl)-(2-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-[(3-fluoro-4-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43498303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).