(2-bromo-4-chlorophenyl)-(4-propylphenyl)methanamine

C16H17BrClN — CID 107987302

IUPAC(2-bromo-4-chlorophenyl)-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(N)c2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C16H17BrClN/c1-2-3-11-4-6-12(7-5-11)16(19)14-9-8-13(18)10-15(14)17/h4-10,16H,2-3,19H2,1H3
InChIKeyCGGBUJKVFQBPEV-UHFFFAOYSA-N
MW338.68 g/mol
LogP5.10
Rot. Bonds4

About (2-bromo-4-chlorophenyl)-(4-propylphenyl)methanamine

(2-bromo-4-chlorophenyl)-(4-propylphenyl)methanamine (PubChem CID 107987302) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(4-propylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(4-propylphenyl)methanamine
PubChem CID107987302
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC Name(2-bromo-4-chlorophenyl)-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(N)c2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C16H17BrClN/c1-2-3-11-4-6-12(7-5-11)16(19)14-9-8-13(18)10-15(14)17/h4-10,16H,2-3,19H2,1H3
InChIKeyCGGBUJKVFQBPEV-UHFFFAOYSA-N
XLogP5.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.68
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine
CID 114024420
N-[(2-bromo-4-chlorophenyl)-(4-propylphenyl)methyl]ethanamine
CID 107987414
1-bromo-4-chloro-2-[chloro-(4-propylphenyl)methyl]benzene
CID 114027818
2-[bromo-(4-propylphenyl)methyl]-1,4-dichlorobenzene
CID 55198580
(2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 107994143
1-(2-bromo-4-chlorophenyl)octan-1-amine
CID 107992453
(2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 107987604
(2,5-dimethylfuran-3-yl)-(4-propylphenyl)methanamine
CID 43384416
(4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine
CID 43629735
(2-bromo-5-methylphenyl)-(4-butylphenyl)methanamine
CID 81111134
(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine
CID 107945742
1-(2-bromo-4-chlorophenyl)-2-ethoxyethanamine
CID 107994199

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(4-propylphenyl)methanamine?
The IUPAC name of (2-bromo-4-chlorophenyl)-(4-propylphenyl)methanamine (CID 107987302) is (2-bromo-4-chlorophenyl)-(4-propylphenyl)methanamine.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(4-propylphenyl)methanamine?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(4-propylphenyl)methanamine is CCCc1ccc(C(N)c2ccc(Cl)cc2Br)cc1.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(4-propylphenyl)methanamine?
The InChIKey is CGGBUJKVFQBPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-2-3-11-4-6-12(7-5-11)16(19)14-9-8-13(18)10-15(14)17/h4-10,16H,2-3,19H2,1H3.
What are the key properties of (2-bromo-4-chlorophenyl)-(4-propylphenyl)methanamine?
(2-bromo-4-chlorophenyl)-(4-propylphenyl)methanamine has a molecular weight of 338.68 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(4-propylphenyl)methanamine is sourced from PubChem (CID 107987302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).