(3-bromo-5-chloro-2-methoxyphenyl)-(3-bromo-4-methylphenyl)methanamine

C15H14Br2ClNO — CID 81471992

IUPAC(3-bromo-5-chloro-2-methoxyphenyl)-(3-bromo-4-methylphenyl)methanamine
SMILESCOc1c(Br)cc(Cl)cc1C(N)c1ccc(C)c(Br)c1
InChIInChI=1S/C15H14Br2ClNO/c1-8-3-4-9(5-12(8)16)14(19)11-6-10(18)7-13(17)15(11)20-2/h3-7,14H,19H2,1-2H3
InChIKeyVLFKVNFECDBWKA-UHFFFAOYSA-N
MW419.54 g/mol
LogP5.23
Rot. Bonds3

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

(3-bromo-5-chloro-2-methoxyphenyl)-(3-bromo-4-methylphenyl)methanamine (PubChem CID 81471992) has the molecular formula C15H14Br2ClNO and a molecular weight of 419.54 g/mol. Its IUPAC name is (3-bromo-5-chloro-2-methoxyphenyl)-(3-bromo-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-chloro-2-methoxyphenyl)-(3-bromo-4-methylphenyl)methanamine
PubChem CID81471992
Molecular FormulaC15H14Br2ClNO
Molecular Weight419.54 g/mol
Exact Mass416.91
IUPAC Name(3-bromo-5-chloro-2-methoxyphenyl)-(3-bromo-4-methylphenyl)methanamine
SMILESCOc1c(Br)cc(Cl)cc1C(N)c1ccc(C)c(Br)c1
InChIInChI=1S/C15H14Br2ClNO/c1-8-3-4-9(5-12(8)16)14(19)11-6-10(18)7-13(17)15(11)20-2/h3-7,14H,19H2,1-2H3
InChIKeyVLFKVNFECDBWKA-UHFFFAOYSA-N
XLogP5.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.54
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanamine
CID 43110728
(3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81288247
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43101952
1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene
CID 63430739
(3-bromo-5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methanamine
CID 43106958
(3-bromo-5-chloro-2-methoxyphenyl)-(5-bromo-3-pyridinyl)methanamine
CID 43125118
(3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483674
(3-bromo-5-chloro-2-methoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine
CID 103400588
(3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 81472440
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475
(2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 107987604
1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene
CID 63435996

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-(3-bromo-4-methylphenyl)methanamine?
The IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-(3-bromo-4-methylphenyl)methanamine (CID 81471992) is (3-bromo-5-chloro-2-methoxyphenyl)-(3-bromo-4-methylphenyl)methanamine.
What is the SMILES notation for (3-bromo-5-chloro-2-methoxyphenyl)-(3-bromo-4-methylphenyl)methanamine?
The canonical SMILES for (3-bromo-5-chloro-2-methoxyphenyl)-(3-bromo-4-methylphenyl)methanamine is COc1c(Br)cc(Cl)cc1C(N)c1ccc(C)c(Br)c1.
What is the InChIKey of (3-bromo-5-chloro-2-methoxyphenyl)-(3-bromo-4-methylphenyl)methanamine?
The InChIKey is VLFKVNFECDBWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2ClNO/c1-8-3-4-9(5-12(8)16)14(19)11-6-10(18)7-13(17)15(11)20-2/h3-7,14H,19H2,1-2H3.
What are the key properties of (3-bromo-5-chloro-2-methoxyphenyl)-(3-bromo-4-methylphenyl)methanamine?
(3-bromo-5-chloro-2-methoxyphenyl)-(3-bromo-4-methylphenyl)methanamine has a molecular weight of 419.54 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chloro-2-methoxyphenyl)-(3-bromo-4-methylphenyl)methanamine is sourced from PubChem (CID 81471992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).