2-(4-bromo-2-chlorophenyl)-1-(3,5-dimethoxyphenyl)ethanamine

C16H17BrClNO2 — CID 105037979

IUPAC2-(4-bromo-2-chlorophenyl)-1-(3,5-dimethoxyphenyl)ethanamine
SMILESCOc1cc(OC)cc(C(N)Cc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C16H17BrClNO2/c1-20-13-5-11(6-14(9-13)21-2)16(19)7-10-3-4-12(17)8-15(10)18/h3-6,8-9,16H,7,19H2,1-2H3
InChIKeyDTXBDADHPBEJCK-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.36
Rot. Bonds5

About 2-(4-bromo-2-chlorophenyl)-1-(3,5-dimethoxyphenyl)ethanamine

2-(4-bromo-2-chlorophenyl)-1-(3,5-dimethoxyphenyl)ethanamine (PubChem CID 105037979) has the molecular formula C16H17BrClNO2 and a molecular weight of 370.67 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(3,5-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(3,5-dimethoxyphenyl)ethanamine
PubChem CID105037979
Molecular FormulaC16H17BrClNO2
Molecular Weight370.67 g/mol
Exact Mass369.01
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(3,5-dimethoxyphenyl)ethanamine
SMILESCOc1cc(OC)cc(C(N)Cc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C16H17BrClNO2/c1-20-13-5-11(6-14(9-13)21-2)16(19)7-10-3-4-12(17)8-15(10)18/h3-6,8-9,16H,7,19H2,1-2H3
InChIKeyDTXBDADHPBEJCK-UHFFFAOYSA-N
XLogP4.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 105038050
2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine
CID 113471237
2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115817348
1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840317
1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 107974357
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine
CID 106693067
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
2-(4-bromo-2-chlorophenyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105038016
1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840124

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(3,5-dimethoxyphenyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(3,5-dimethoxyphenyl)ethanamine (CID 105037979) is 2-(4-bromo-2-chlorophenyl)-1-(3,5-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(3,5-dimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(3,5-dimethoxyphenyl)ethanamine is COc1cc(OC)cc(C(N)Cc2ccc(Br)cc2Cl)c1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(3,5-dimethoxyphenyl)ethanamine?
The InChIKey is DTXBDADHPBEJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO2/c1-20-13-5-11(6-14(9-13)21-2)16(19)7-10-3-4-12(17)8-15(10)18/h3-6,8-9,16H,7,19H2,1-2H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(3,5-dimethoxyphenyl)ethanamine?
2-(4-bromo-2-chlorophenyl)-1-(3,5-dimethoxyphenyl)ethanamine has a molecular weight of 370.67 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(3,5-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 105037979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).