(4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine

C16H17BrClN — CID 105050353

IUPAC(4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)c2ccc(Br)cc2Cl)c1
InChIInChI=1S/C16H17BrClN/c1-2-4-11-5-3-6-12(9-11)16(19)14-8-7-13(17)10-15(14)18/h3,5-10,16H,2,4,19H2,1H3
InChIKeyXULROZFWKABIRD-UHFFFAOYSA-N
MW338.68 g/mol
LogP5.10
Rot. Bonds4

About (4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine

(4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine (PubChem CID 105050353) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine
PubChem CID105050353
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC Name(4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)c2ccc(Br)cc2Cl)c1
InChIInChI=1S/C16H17BrClN/c1-2-4-11-5-3-6-12(9-11)16(19)14-8-7-13(17)10-15(14)18/h3,5-10,16H,2,4,19H2,1H3
InChIKeyXULROZFWKABIRD-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

(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine
CID 114906021
(2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine
CID 105050408
(2,4-dibromophenyl)-(3-ethylphenyl)methanamine
CID 107946458
(4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine
CID 43805136
(4-bromo-2,6-difluorophenyl)-(3-propylphenyl)methanamine
CID 105050580
(5-bromo-3-pyridinyl)-(3-propylphenyl)methanamine
CID 116544831
[(4-bromo-2-methylphenyl)-(3-propylphenyl)methyl]hydrazine
CID 105340454
(2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine
CID 105187905
(2-methoxyphenyl)-(3-propylphenyl)methanamine
CID 116543821
(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanol
CID 116542467
(2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 107946916
(3,5-dibromo-2-pyridinyl)-(3-propylphenyl)methanamine
CID 116545102

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine?
The IUPAC name of (4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine (CID 105050353) is (4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine is CCCc1cccc(C(N)c2ccc(Br)cc2Cl)c1.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine?
The InChIKey is XULROZFWKABIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-2-4-11-5-3-6-12(9-11)16(19)14-8-7-13(17)10-15(14)18/h3,5-10,16H,2,4,19H2,1H3.
What are the key properties of (4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine?
(4-bromo-2-chlorophenyl)-(3-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 (4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine is sourced from PubChem (CID 105050353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).