3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine

C17H20ClNO — CID 82139605

IUPAC3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
SMILESCOc1ccc(C)cc1C(CN)Cc1cccc(Cl)c1
InChIInChI=1S/C17H20ClNO/c1-12-6-7-17(20-2)16(8-12)14(11-19)9-13-4-3-5-15(18)10-13/h3-8,10,14H,9,11,19H2,1-2H3
InChIKeyPZZZOWKLXLVPCO-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.94
Rot. Bonds5

About 3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine

3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine (PubChem CID 82139605) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
PubChem CID82139605
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
SMILESCOc1ccc(C)cc1C(CN)Cc1cccc(Cl)c1
InChIInChI=1S/C17H20ClNO/c1-12-6-7-17(20-2)16(8-12)14(11-19)9-13-4-3-5-15(18)10-13/h3-8,10,14H,9,11,19H2,1-2H3
InChIKeyPZZZOWKLXLVPCO-UHFFFAOYSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974508
3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 83972824
3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974597
2-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethylphenyl)propan-1-amine
CID 82141384
3-(4-ethoxy-3-methoxyphenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974529
2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine
CID 82141454
3-(3-bromophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 112538959
3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974607
2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83974613
2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 82139339
3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 83974913
2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 82141160

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine (CID 82139605) is 3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine is COc1ccc(C)cc1C(CN)Cc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine?
The InChIKey is PZZZOWKLXLVPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-12-6-7-17(20-2)16(8-12)14(11-19)9-13-4-3-5-15(18)10-13/h3-8,10,14H,9,11,19H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine?
3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine is sourced from PubChem (CID 82139605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).