1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine

C18H21BrClN — CID 106868115

IUPAC1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(C)cc1Cl)Cc1ccccc1Br
InChIInChI=1S/C18H21BrClN/c1-3-21-16(11-14-6-4-5-7-17(14)19)12-15-9-8-13(2)10-18(15)20/h4-10,16,21H,3,11-12H2,1-2H3
InChIKeyJQWNHQLFOQDLNS-UHFFFAOYSA-N
MW366.73 g/mol
LogP5.17
Rot. Bonds6

About 1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine

1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine (PubChem CID 106868115) has the molecular formula C18H21BrClN and a molecular weight of 366.73 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine
PubChem CID106868115
Molecular FormulaC18H21BrClN
Molecular Weight366.73 g/mol
Exact Mass365.05
IUPAC Name1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(C)cc1Cl)Cc1ccccc1Br
InChIInChI=1S/C18H21BrClN/c1-3-21-16(11-14-6-4-5-7-17(14)19)12-15-9-8-13(2)10-18(15)20/h4-10,16,21H,3,11-12H2,1-2H3
InChIKeyJQWNHQLFOQDLNS-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.73
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 106867468
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 63415285
1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 63416386
1-(2-chloro-4-methylphenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 106867430
1-(2-chloro-4-methylphenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 106867485
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 55187580
1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine
CID 63420097
1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 63415187
1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 106867781
1-(2-bromo-5-methylphenyl)-2-(2-bromophenyl)-N-ethylethanamine
CID 115787106
1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867838
1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347786

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine (CID 106868115) is 1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine is CCNC(Cc1ccc(C)cc1Cl)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine?
The InChIKey is JQWNHQLFOQDLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrClN/c1-3-21-16(11-14-6-4-5-7-17(14)19)12-15-9-8-13(2)10-18(15)20/h4-10,16,21H,3,11-12H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine?
1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine has a molecular weight of 366.73 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 106868115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).