2-(3,4-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine

C16H17Cl2NO — CID 62795612

IUPAC2-(3,4-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-10-3-6-16(20-2)12(7-10)15(19)9-11-4-5-13(17)14(18)8-11/h3-8,15H,9,19H2,1-2H3
InChIKeyVGKVBQDZGFQRKZ-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.55
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine

2-(3,4-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 62795612) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID62795612
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name2-(3,4-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-10-3-6-16(20-2)12(7-10)15(19)9-11-4-5-13(17)14(18)8-11/h3-8,15H,9,19H2,1-2H3
InChIKeyVGKVBQDZGFQRKZ-UHFFFAOYSA-N
XLogP4.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844158
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 65440865
2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 115864890
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 115369457
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63502718
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64622119
2-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1,4-dimethylbenzene
CID 63441847
1,2-dichloro-4-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]benzene
CID 63429579
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 55135517
2-(4-chlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 61081695

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine (CID 62795612) is 2-(3,4-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1C(N)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is VGKVBQDZGFQRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-10-3-6-16(20-2)12(7-10)15(19)9-11-4-5-13(17)14(18)8-11/h3-8,15H,9,19H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
2-(3,4-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 310.22 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 62795612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).