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

C18H22ClNO — CID 79700808

IUPACN-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)c(OC)c1)c1ccccc1C
InChIInChI=1S/C18H22ClNO/c1-4-11-20-18(15-8-6-5-7-13(15)2)14-9-10-16(19)17(12-14)21-3/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyFHJWHJQUNZXPJR-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.75
Rot. Bonds6

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

N-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine (PubChem CID 79700808) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
PubChem CID79700808
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)c(OC)c1)c1ccccc1C
InChIInChI=1S/C18H22ClNO/c1-4-11-20-18(15-8-6-5-7-13(15)2)14-9-10-16(19)17(12-14)21-3/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyFHJWHJQUNZXPJR-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.75
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-[(4-chloro-3-methoxyphenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 79699083
N-[(3-fluoro-4-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 43498303
N-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 105006810
N-[(2-bromofuran-3-yl)-(4-chloro-3-methoxyphenyl)methyl]propan-1-amine
CID 106858080
N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 60819696
N-[(2-chloro-4,5-dimethylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115484214
N-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792566
N-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794619
N-[(4-chloro-3-methoxyphenyl)-(2-iodophenyl)methyl]ethanamine
CID 105006994
N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115793334
N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine
CID 43494597

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine (CID 79700808) is N-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)c(OC)c1)c1ccccc1C.
What is the InChIKey of N-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine?
The InChIKey is FHJWHJQUNZXPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-4-11-20-18(15-8-6-5-7-13(15)2)14-9-10-16(19)17(12-14)21-3/h5-10,12,18,20H,4,11H2,1-3H3.
What are the key properties of N-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine?
N-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine has a molecular weight of 303.83 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 79700808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).