N-[(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine

C17H18BrCl2N — CID 107950635

IUPACN-[(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)cc(Br)c1)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C17H18BrCl2N/c1-4-21-17(12-7-13(18)9-14(19)8-12)15-5-11(3)16(20)6-10(15)2/h5-9,17,21H,4H2,1-3H3
InChIKeyMQPJCCMTUGAIFP-UHFFFAOYSA-N
MW387.15 g/mol
LogP6.07
Rot. Bonds4

About N-[(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine

N-[(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine (PubChem CID 107950635) has the molecular formula C17H18BrCl2N and a molecular weight of 387.15 g/mol. Its IUPAC name is N-[(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine
PubChem CID107950635
Molecular FormulaC17H18BrCl2N
Molecular Weight387.15 g/mol
Exact Mass385.00
IUPAC NameN-[(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)cc(Br)c1)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C17H18BrCl2N/c1-4-21-17(12-7-13(18)9-14(19)8-12)15-5-11(3)16(20)6-10(15)2/h5-9,17,21H,4H2,1-3H3
InChIKeyMQPJCCMTUGAIFP-UHFFFAOYSA-N
XLogP6.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.15
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-5-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
CID 107945309
N-[(3-chloro-5-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 104990354
(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanamine
CID 107950627
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 107946026
N-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine
CID 82870807
N-[(3-bromo-5-chlorophenyl)-(4-propylphenyl)methyl]ethanamine
CID 107945725
N-[(3-bromo-5-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]ethanamine
CID 107946591
N-[(3,5-dibromophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 107974842
N-[(3-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methyl]ethanamine
CID 104851377
N-[(2-chloro-4,5-dimethylphenyl)-(4-chlorophenyl)methyl]ethanamine
CID 115484011
N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 64989691
N-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 107945874

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine (CID 107950635) is N-[(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine is CCNC(c1cc(Cl)cc(Br)c1)c1cc(C)c(Cl)cc1C.
What is the InChIKey of N-[(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine?
The InChIKey is MQPJCCMTUGAIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrCl2N/c1-4-21-17(12-7-13(18)9-14(19)8-12)15-5-11(3)16(20)6-10(15)2/h5-9,17,21H,4H2,1-3H3.
What are the key properties of N-[(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine?
N-[(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine has a molecular weight of 387.15 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 107950635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).