(3-bromo-5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methanamine

C14H12BrCl2NO — CID 43106958

IUPAC(3-bromo-5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methanamine
SMILESCOc1c(Br)cc(Cl)cc1C(N)c1ccccc1Cl
InChIInChI=1S/C14H12BrCl2NO/c1-19-14-10(6-8(16)7-11(14)15)13(18)9-4-2-3-5-12(9)17/h2-7,13H,18H2,1H3
InChIKeySAHIERLNKZCSJM-UHFFFAOYSA-N
MW361.07 g/mol
LogP4.81
Rot. Bonds3

About (3-bromo-5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methanamine

(3-bromo-5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methanamine (PubChem CID 43106958) has the molecular formula C14H12BrCl2NO and a molecular weight of 361.07 g/mol. Its IUPAC name is (3-bromo-5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methanamine
PubChem CID43106958
Molecular FormulaC14H12BrCl2NO
Molecular Weight361.07 g/mol
Exact Mass358.95
IUPAC Name(3-bromo-5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methanamine
SMILESCOc1c(Br)cc(Cl)cc1C(N)c1ccccc1Cl
InChIInChI=1S/C14H12BrCl2NO/c1-19-14-10(6-8(16)7-11(14)15)13(18)9-4-2-3-5-12(9)17/h2-7,13H,18H2,1H3
InChIKeySAHIERLNKZCSJM-UHFFFAOYSA-N
XLogP4.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.07
LogP ≤ 54.81
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
1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 43480353
1-benzothiophen-2-yl-(3-bromo-5-chloro-2-methoxyphenyl)methanamine
CID 61407060
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-phenylethanamine
CID 43197324
(3-bromo-5-chloro-2-methoxyphenyl)-(3-bromo-4-methylphenyl)methanamine
CID 81471992
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol
CID 63427922
(3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81288247
(3-bromo-5-chloro-2-methoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine
CID 103400588
1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene
CID 63430739
(3-bromo-5-chloro-2-methoxyphenyl)-(5-bromo-3-pyridinyl)methanamine
CID 43125118
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43101952
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 43480286

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methanamine?
The IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methanamine (CID 43106958) is (3-bromo-5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methanamine.
What is the SMILES notation for (3-bromo-5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methanamine?
The canonical SMILES for (3-bromo-5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methanamine is COc1c(Br)cc(Cl)cc1C(N)c1ccccc1Cl.
What is the InChIKey of (3-bromo-5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methanamine?
The InChIKey is SAHIERLNKZCSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO/c1-19-14-10(6-8(16)7-11(14)15)13(18)9-4-2-3-5-12(9)17/h2-7,13H,18H2,1H3.
What are the key properties of (3-bromo-5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methanamine?
(3-bromo-5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methanamine has a molecular weight of 361.07 g/mol, XLogP of 4.81, 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)-(2-chlorophenyl)methanamine is sourced from PubChem (CID 43106958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).