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

C18H22ClNO — CID 115793334

IUPACN-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OC)c1cccc(C)c1Cl
InChIInChI=1S/C18H22ClNO/c1-4-12-20-18(14-9-5-6-11-16(14)21-3)15-10-7-8-13(2)17(15)19/h5-11,18,20H,4,12H2,1-3H3
InChIKeyIXKXSUVTCRUPHB-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.75
Rot. Bonds6

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

N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine (PubChem CID 115793334) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
PubChem CID115793334
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OC)c1cccc(C)c1Cl
InChIInChI=1S/C18H22ClNO/c1-4-12-20-18(14-9-5-6-11-16(14)21-3)15-10-7-8-13(2)17(15)19/h5-11,18,20H,4,12H2,1-3H3
InChIKeyIXKXSUVTCRUPHB-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

Analyze N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]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

N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 115792936
N-[(2-chloro-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032207
N-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792512
N-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 105394631
N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831663
N-[(3-chloro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792668
N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 106645250
N-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 79700808
N-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 62790493
N-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792566
N-[(2-chloro-4,5-dimethylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115484214
N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine
CID 63415844

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine (CID 115793334) is N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1ccccc1OC)c1cccc(C)c1Cl.
What is the InChIKey of N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is IXKXSUVTCRUPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-4-12-20-18(14-9-5-6-11-16(14)21-3)15-10-7-8-13(2)17(15)19/h5-11,18,20H,4,12H2,1-3H3.
What are the key properties of N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)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-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115793334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).