(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine

C16H17BrClNO2 — CID 105056645

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
SMILESCOc1cc(C(N)c2ccc(C)c(Cl)c2)c(OC)cc1Br
InChIInChI=1S/C16H17BrClNO2/c1-9-4-5-10(6-13(9)18)16(19)11-7-15(21-3)12(17)8-14(11)20-2/h4-8,16H,19H2,1-3H3
InChIKeyXPYIKYKPTGBUCT-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.48
Rot. Bonds4

About (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine

(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine (PubChem CID 105056645) has the molecular formula C16H17BrClNO2 and a molecular weight of 370.67 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
PubChem CID105056645
Molecular FormulaC16H17BrClNO2
Molecular Weight370.67 g/mol
Exact Mass369.01
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
SMILESCOc1cc(C(N)c2ccc(C)c(Cl)c2)c(OC)cc1Br
InChIInChI=1S/C16H17BrClNO2/c1-9-4-5-10(6-13(9)18)16(19)11-7-15(21-3)12(17)8-14(11)20-2/h4-8,16H,19H2,1-3H3
InChIKeyXPYIKYKPTGBUCT-UHFFFAOYSA-N
XLogP4.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 63194534
(4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 105056617
(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107998788
(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 55162756
(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine
CID 65440107
(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine
CID 107998531
(4-bromo-3-chlorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 81291000
(4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine
CID 105056618
(4-bromo-2,5-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanamine
CID 105056613
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
CID 115817898
(4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine
CID 105056652
(3-bromo-4-chlorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 115566906

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine (CID 105056645) is (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine is COc1cc(C(N)c2ccc(C)c(Cl)c2)c(OC)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine?
The InChIKey is XPYIKYKPTGBUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO2/c1-9-4-5-10(6-13(9)18)16(19)11-7-15(21-3)12(17)8-14(11)20-2/h4-8,16H,19H2,1-3H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine?
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine has a molecular weight of 370.67 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine is sourced from PubChem (CID 105056645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).