(3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine

C17H19BrClN — CID 107950848

IUPAC(3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine
SMILESCCc1ccc(C(N)c2cc(Cl)cc(Br)c2)cc1CC
InChIInChI=1S/C17H19BrClN/c1-3-11-5-6-13(7-12(11)4-2)17(20)14-8-15(18)10-16(19)9-14/h5-10,17H,3-4,20H2,1-2H3
InChIKeyMEDXAGVCDREHBE-UHFFFAOYSA-N
MW352.70 g/mol
LogP5.28
Rot. Bonds4

About (3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine

(3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine (PubChem CID 107950848) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine
PubChem CID107950848
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC Name(3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine
SMILESCCc1ccc(C(N)c2cc(Cl)cc(Br)c2)cc1CC
InChIInChI=1S/C17H19BrClN/c1-3-11-5-6-13(7-12(11)4-2)17(20)14-8-15(18)10-16(19)9-14/h5-10,17H,3-4,20H2,1-2H3
InChIKeyMEDXAGVCDREHBE-UHFFFAOYSA-N
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.70
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-5-methylphenyl)-(3,4-diethylphenyl)methanamine
CID 115481933
(3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine
CID 115481980
(3-bromo-5-chlorophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 107945621
(3-bromo-4-methoxyphenyl)-(3,4-diethylphenyl)methanamine
CID 115482034
(3,4-diethylphenyl)-(4-methoxyphenyl)methanamine
CID 115481951
(1R)-1-(3-bromo-5-chlorophenyl)butan-1-amine
CID 130706946
4-[bromo-(4-chlorophenyl)methyl]-1,2-diethylbenzene
CID 113319251
6-[amino-(3-bromo-5-chlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 107950188
(3-bromo-5-chlorophenyl)-(2,5-diethylphenyl)methanol
CID 107955643
(2-bromofuran-3-yl)-(3,4-diethylphenyl)methanamine
CID 106851922
(3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 114019265
4-[bromo-(3-bromophenyl)methyl]-1,2-diethylbenzene
CID 113319224

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine?
The IUPAC name of (3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine (CID 107950848) is (3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine is CCc1ccc(C(N)c2cc(Cl)cc(Br)c2)cc1CC.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine?
The InChIKey is MEDXAGVCDREHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-3-11-5-6-13(7-12(11)4-2)17(20)14-8-15(18)10-16(19)9-14/h5-10,17H,3-4,20H2,1-2H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine?
(3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine has a molecular weight of 352.70 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine is sourced from PubChem (CID 107950848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).