(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanamine

C15H14Br2ClN — CID 107096610

IUPAC(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanamine
SMILESCc1cc(Br)c(C(N)c2cccc(Cl)c2C)cc1Br
InChIInChI=1S/C15H14Br2ClN/c1-8-6-13(17)11(7-12(8)16)15(19)10-4-3-5-14(18)9(10)2/h3-7,15H,19H2,1-2H3
InChIKeyLIBPVWCLZYYCBK-UHFFFAOYSA-N
MW403.55 g/mol
LogP5.53
Rot. Bonds2

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

(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanamine (PubChem CID 107096610) has the molecular formula C15H14Br2ClN and a molecular weight of 403.55 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanamine
PubChem CID107096610
Molecular FormulaC15H14Br2ClN
Molecular Weight403.55 g/mol
Exact Mass400.92
IUPAC Name(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanamine
SMILESCc1cc(Br)c(C(N)c2cccc(Cl)c2C)cc1Br
InChIInChI=1S/C15H14Br2ClN/c1-8-6-13(17)11(7-12(8)16)15(19)10-4-3-5-14(18)9(10)2/h3-7,15H,19H2,1-2H3
InChIKeyLIBPVWCLZYYCBK-UHFFFAOYSA-N
XLogP5.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107098922
(3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107096356
(3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanamine
CID 107998871
(3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine
CID 107096553
(3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine
CID 107096574
(5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine
CID 107096345
(2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 81473098
(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanamine
CID 115566688
1,4-dibromo-2-[chloro-(2-chloro-6-fluorophenyl)methyl]-5-methylbenzene
CID 81473874
1-(3-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 154878722
(3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine
CID 64713808
(3-chloro-2-methylphenyl)-(furan-2-yl)methanamine
CID 107096502

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanamine?
The IUPAC name of (3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanamine (CID 107096610) is (3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanamine.
What is the SMILES notation for (3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanamine?
The canonical SMILES for (3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanamine is Cc1cc(Br)c(C(N)c2cccc(Cl)c2C)cc1Br.
What is the InChIKey of (3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanamine?
The InChIKey is LIBPVWCLZYYCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2ClN/c1-8-6-13(17)11(7-12(8)16)15(19)10-4-3-5-14(18)9(10)2/h3-7,15H,19H2,1-2H3.
What are the key properties of (3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanamine?
(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanamine has a molecular weight of 403.55 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanamine is sourced from PubChem (CID 107096610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).