(3-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanamine

C15H14BrCl2NO2 — CID 107998932

IUPAC(3-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Cl)c(Br)c2)c(OC)c1Cl
InChIInChI=1S/C15H14BrCl2NO2/c1-20-12-6-4-9(15(21-2)13(12)18)14(19)8-3-5-11(17)10(16)7-8/h3-7,14H,19H2,1-2H3
InChIKeyFNEDXIDZMPCKGP-UHFFFAOYSA-N
MW391.09 g/mol
LogP4.82
Rot. Bonds4

About (3-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanamine

(3-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanamine (PubChem CID 107998932) has the molecular formula C15H14BrCl2NO2 and a molecular weight of 391.09 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanamine
PubChem CID107998932
Molecular FormulaC15H14BrCl2NO2
Molecular Weight391.09 g/mol
Exact Mass388.96
IUPAC Name(3-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Cl)c(Br)c2)c(OC)c1Cl
InChIInChI=1S/C15H14BrCl2NO2/c1-20-12-6-4-9(15(21-2)13(12)18)14(19)8-3-5-11(17)10(16)7-8/h3-7,14H,19H2,1-2H3
InChIKeyFNEDXIDZMPCKGP-UHFFFAOYSA-N
XLogP4.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.09
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-chlorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 115566906
(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine
CID 107998531
(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 107998536
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
CID 107998899
(3-chloro-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950937
(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107998788
(2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 107994143
1-[(3-bromo-4-fluorophenyl)-chloromethyl]-3-chloro-2,4-dimethoxybenzene
CID 107959175
(3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine
CID 107998834
(3-bromo-4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 113337076
(3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine
CID 43131063
(4-bromo-3-chlorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 81291000

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanamine?
The IUPAC name of (3-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanamine (CID 107998932) is (3-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanamine?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanamine is COc1ccc(C(N)c2ccc(Cl)c(Br)c2)c(OC)c1Cl.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanamine?
The InChIKey is FNEDXIDZMPCKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO2/c1-20-12-6-4-9(15(21-2)13(12)18)14(19)8-3-5-11(17)10(16)7-8/h3-7,14H,19H2,1-2H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanamine?
(3-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanamine has a molecular weight of 391.09 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 107998932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).