N-[(2-bromo-4-chlorophenyl)-(4-propylphenyl)methyl]ethanamine

C18H21BrClN — CID 107987414

IUPACN-[(2-bromo-4-chlorophenyl)-(4-propylphenyl)methyl]ethanamine
SMILESCCCc1ccc(C(NCC)c2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C18H21BrClN/c1-3-5-13-6-8-14(9-7-13)18(21-4-2)16-11-10-15(20)12-17(16)19/h6-12,18,21H,3-5H2,1-2H3
InChIKeyDIWMUMBFSYKLGG-UHFFFAOYSA-N
MW366.73 g/mol
LogP5.75
Rot. Bonds6

About N-[(2-bromo-4-chlorophenyl)-(4-propylphenyl)methyl]ethanamine

N-[(2-bromo-4-chlorophenyl)-(4-propylphenyl)methyl]ethanamine (PubChem CID 107987414) has the molecular formula C18H21BrClN and a molecular weight of 366.73 g/mol. Its IUPAC name is N-[(2-bromo-4-chlorophenyl)-(4-propylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-chlorophenyl)-(4-propylphenyl)methyl]ethanamine
PubChem CID107987414
Molecular FormulaC18H21BrClN
Molecular Weight366.73 g/mol
Exact Mass365.05
IUPAC NameN-[(2-bromo-4-chlorophenyl)-(4-propylphenyl)methyl]ethanamine
SMILESCCCc1ccc(C(NCC)c2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C18H21BrClN/c1-3-5-13-6-8-14(9-7-13)18(21-4-2)16-11-10-15(20)12-17(16)19/h6-12,18,21H,3-5H2,1-2H3
InChIKeyDIWMUMBFSYKLGG-UHFFFAOYSA-N
XLogP5.75
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 ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-4-chlorophenyl)-(4-propylphenyl)methanamine
CID 107987302
N-[(2-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 107987395
N-[(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 107992938
N-[(4-bromo-3-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022476
N-[(3-bromo-5-chlorophenyl)-(4-propylphenyl)methyl]ethanamine
CID 107945725
N-[(2-bromo-4-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 107994518
N-[(2-bromo-4-chlorophenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 107993609
1-(2,4-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 107945722
N-[(2,4-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 107950513
N-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 107944930
1-bromo-4-chloro-2-[chloro-(4-propylphenyl)methyl]benzene
CID 114027818
N-[(4-bromo-3-fluorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022728

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-chlorophenyl)-(4-propylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-4-chlorophenyl)-(4-propylphenyl)methyl]ethanamine (CID 107987414) is N-[(2-bromo-4-chlorophenyl)-(4-propylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-4-chlorophenyl)-(4-propylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-4-chlorophenyl)-(4-propylphenyl)methyl]ethanamine is CCCc1ccc(C(NCC)c2ccc(Cl)cc2Br)cc1.
What is the InChIKey of N-[(2-bromo-4-chlorophenyl)-(4-propylphenyl)methyl]ethanamine?
The InChIKey is DIWMUMBFSYKLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrClN/c1-3-5-13-6-8-14(9-7-13)18(21-4-2)16-11-10-15(20)12-17(16)19/h6-12,18,21H,3-5H2,1-2H3.
What are the key properties of N-[(2-bromo-4-chlorophenyl)-(4-propylphenyl)methyl]ethanamine?
N-[(2-bromo-4-chlorophenyl)-(4-propylphenyl)methyl]ethanamine has a molecular weight of 366.73 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-chlorophenyl)-(4-propylphenyl)methyl]ethanamine is sourced from PubChem (CID 107987414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).