1-(2,3-dichlorophenyl)-2-(3,5-dimethylphenyl)ethanamine

C16H17Cl2N — CID 63416558

IUPAC1-(2,3-dichlorophenyl)-2-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(CC(N)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-10-6-11(2)8-12(7-10)9-15(19)13-4-3-5-14(17)16(13)18/h3-8,15H,9,19H2,1-2H3
InChIKeyXLTMLGUBQXQDNY-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.85
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-2-(3,5-dimethylphenyl)ethanamine

1-(2,3-dichlorophenyl)-2-(3,5-dimethylphenyl)ethanamine (PubChem CID 63416558) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2-(3,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2-(3,5-dimethylphenyl)ethanamine
PubChem CID63416558
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name1-(2,3-dichlorophenyl)-2-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(CC(N)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-10-6-11(2)8-12(7-10)9-15(19)13-4-3-5-14(17)16(13)18/h3-8,15H,9,19H2,1-2H3
InChIKeyXLTMLGUBQXQDNY-UHFFFAOYSA-N
XLogP4.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-dichlorophenyl)-3-(3,5-dimethylphenyl)propan-1-amine
CID 83975793
(1R)-1-(2,3-dichlorophenyl)pentan-1-amine
CID 171204538
1-(2,3-dichlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829955
1-(2,3-dichlorophenyl)-2-(3-methylphenyl)ethanol
CID 62792001
1-(2,3-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 105098958
1-(2,3-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448228
2-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 63414806
1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107312388
1-(2,3-dichlorophenyl)undecan-1-amine
CID 115846022
1-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 107102055
1-(2,4-dichlorophenyl)-2-(3-methylphenyl)ethanamine
CID 62387674
(1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171204529

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2-(3,5-dimethylphenyl)ethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-2-(3,5-dimethylphenyl)ethanamine (CID 63416558) is 1-(2,3-dichlorophenyl)-2-(3,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2-(3,5-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2-(3,5-dimethylphenyl)ethanamine is Cc1cc(C)cc(CC(N)c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2-(3,5-dimethylphenyl)ethanamine?
The InChIKey is XLTMLGUBQXQDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-10-6-11(2)8-12(7-10)9-15(19)13-4-3-5-14(17)16(13)18/h3-8,15H,9,19H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-2-(3,5-dimethylphenyl)ethanamine?
1-(2,3-dichlorophenyl)-2-(3,5-dimethylphenyl)ethanamine has a molecular weight of 294.23 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-2-(3,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 63416558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).