3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine

C19H24ClNO2 — CID 83974913

IUPAC3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
SMILESCOc1ccc(CC(CN)c2cc(C)c(C)cc2OC)cc1Cl
InChIInChI=1S/C19H24ClNO2/c1-12-7-16(19(23-4)8-13(12)2)15(11-21)9-14-5-6-18(22-3)17(20)10-14/h5-8,10,15H,9,11,21H2,1-4H3
InChIKeySQJJUQRHOWUVAD-UHFFFAOYSA-N
MW333.86 g/mol
LogP4.26
Rot. Bonds6

About 3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine

3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine (PubChem CID 83974913) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
PubChem CID83974913
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
SMILESCOc1ccc(CC(CN)c2cc(C)c(C)cc2OC)cc1Cl
InChIInChI=1S/C19H24ClNO2/c1-12-7-16(19(23-4)8-13(12)2)15(11-21)9-14-5-6-18(22-3)17(20)10-14/h5-8,10,15H,9,11,21H2,1-4H3
InChIKeySQJJUQRHOWUVAD-UHFFFAOYSA-N
XLogP4.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-4,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propan-1-amine
CID 83974871
3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 83974869
3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine
CID 82141792
2-(3-chloro-4-methoxyphenyl)-3-(3,4-dichlorophenyl)propan-1-amine
CID 112538861
4-[3-amino-2-(3-chloro-4-methoxyphenyl)propyl]-2-chlorophenol
CID 83973477
3-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973751
3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 82139605
3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol
CID 82288669
3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol
CID 82283929
3-(4-ethoxy-3-methoxyphenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974529
3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
CID 83977058
3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974597

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine (CID 83974913) is 3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine is COc1ccc(CC(CN)c2cc(C)c(C)cc2OC)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine?
The InChIKey is SQJJUQRHOWUVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO2/c1-12-7-16(19(23-4)8-13(12)2)15(11-21)9-14-5-6-18(22-3)17(20)10-14/h5-8,10,15H,9,11,21H2,1-4H3.
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine?
3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine has a molecular weight of 333.86 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 83974913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).