(3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine

C14H13BrClNO — CID 43131111

IUPAC(3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine
SMILESCOc1ccc(C(N)c2cccc(Cl)c2)cc1Br
InChIInChI=1S/C14H13BrClNO/c1-18-13-6-5-10(8-12(13)15)14(17)9-3-2-4-11(16)7-9/h2-8,14H,17H2,1H3
InChIKeyGJTBCHGZHUCRCQ-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.16
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine

(3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine (PubChem CID 43131111) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine
PubChem CID43131111
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name(3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine
SMILESCOc1ccc(C(N)c2cccc(Cl)c2)cc1Br
InChIInChI=1S/C14H13BrClNO/c1-18-13-6-5-10(8-12(13)15)14(17)9-3-2-4-11(16)7-9/h2-8,14H,17H2,1H3
InChIKeyGJTBCHGZHUCRCQ-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine
CID 43131063
(3-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 63194534
(3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050773
2-bromo-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-methoxybenzene
CID 79432256
(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 107998536
(3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine
CID 115811290
(3-bromo-4-chlorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 115566906
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586
(3-bromo-5-chlorophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 107945621
(3-bromo-4-methoxyphenyl)-(3,4-diethylphenyl)methanamine
CID 115482034
2-bromo-4-chloro-1-methoxybenzene
CID 140982994

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine (CID 43131111) is (3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine is COc1ccc(C(N)c2cccc(Cl)c2)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine?
The InChIKey is GJTBCHGZHUCRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c1-18-13-6-5-10(8-12(13)15)14(17)9-3-2-4-11(16)7-9/h2-8,14H,17H2,1H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine?
(3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine has a molecular weight of 326.62 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine is sourced from PubChem (CID 43131111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).