2-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propan-1-amine

C16H17Cl2NO — CID 83975783

IUPAC2-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(CC(CN)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H17Cl2NO/c1-20-13-7-5-11(6-8-13)9-12(10-19)14-3-2-4-15(17)16(14)18/h2-8,12H,9-10,19H2,1H3
InChIKeyMFXIUZXEAYESPT-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.29
Rot. Bonds5

About 2-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propan-1-amine

2-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propan-1-amine (PubChem CID 83975783) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propan-1-amine
PubChem CID83975783
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name2-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(CC(CN)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H17Cl2NO/c1-20-13-7-5-11(6-8-13)9-12(10-19)14-3-2-4-15(17)16(14)18/h2-8,12H,9-10,19H2,1H3
InChIKeyMFXIUZXEAYESPT-UHFFFAOYSA-N
XLogP4.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dichlorophenyl)-3-(3,5-dimethylphenyl)propan-1-amine
CID 83975793
2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 83975035
3-(2,3-dichlorophenyl)-2-(2,4-dimethoxyphenyl)propan-1-amine
CID 83973145
3-(2,6-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974179
1-(2,6-dichlorophenyl)-2-(4-methoxyphenyl)ethanol
CID 63018440
2-(2,3-dichlorophenyl)-2-methoxyethanamine
CID 66071961
5-amino-4-(2,3-dichlorophenyl)pentan-2-ol
CID 81422224
3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine
CID 82139834
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dichlorobenzene
CID 55224657
1,2-dichloro-3-pentan-3-ylbenzene
CID 67478357
1-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 107312517
1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 65446088

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propan-1-amine (CID 83975783) is 2-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propan-1-amine is COc1ccc(CC(CN)c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propan-1-amine?
The InChIKey is MFXIUZXEAYESPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-20-13-7-5-11(6-8-13)9-12(10-19)14-3-2-4-15(17)16(14)18/h2-8,12H,9-10,19H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propan-1-amine?
2-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propan-1-amine has a molecular weight of 310.22 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 83975783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).