(3-bromo-2-methylphenyl)-(3-chlorophenyl)methanamine

C14H13BrClN — CID 115811887

IUPAC(3-bromo-2-methylphenyl)-(3-chlorophenyl)methanamine
SMILESCc1c(Br)cccc1C(N)c1cccc(Cl)c1
InChIInChI=1S/C14H13BrClN/c1-9-12(6-3-7-13(9)15)14(17)10-4-2-5-11(16)8-10/h2-8,14H,17H2,1H3
InChIKeyMEGFVDDAZMPOHJ-UHFFFAOYSA-N
MW310.62 g/mol
LogP4.46
Rot. Bonds2

About (3-bromo-2-methylphenyl)-(3-chlorophenyl)methanamine

(3-bromo-2-methylphenyl)-(3-chlorophenyl)methanamine (PubChem CID 115811887) has the molecular formula C14H13BrClN and a molecular weight of 310.62 g/mol. Its IUPAC name is (3-bromo-2-methylphenyl)-(3-chlorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-methylphenyl)-(3-chlorophenyl)methanamine
PubChem CID115811887
Molecular FormulaC14H13BrClN
Molecular Weight310.62 g/mol
Exact Mass308.99
IUPAC Name(3-bromo-2-methylphenyl)-(3-chlorophenyl)methanamine
SMILESCc1c(Br)cccc1C(N)c1cccc(Cl)c1
InChIInChI=1S/C14H13BrClN/c1-9-12(6-3-7-13(9)15)14(17)10-4-2-5-11(16)8-10/h2-8,14H,17H2,1H3
InChIKeyMEGFVDDAZMPOHJ-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.62
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-bromo-5-chlorophenyl)propan-1-amine hydrochloride
CID 121362480
1-(3-Bromo-2-methylphenyl)ethan-1-amine hydrochloride
CID 155978040
(1r)-1-(2-Bromo-5-chlorophenyl)ethan-1-amine
CID 121362439
1-(3-Bromo-5-chlorophenyl)-2-methylpropan-1-amine
CID 83737665
(1R)-1-(2-bromo-5-chlorophenyl)ethan-1-amine hydrochloride
CID 139022360
(1S)-1-(2-bromo-5-chlorophenyl)ethan-1-amine hydrochloride
CID 139022362
(1R)-1-(3-bromo-5-chlorophenyl)ethan-1-amine hydrochloride
CID 155928599
(1S)-1-(3-bromo-5-chlorophenyl)ethan-1-amine hydrochloride
CID 177797520
1-(2-Bromophenyl)-2-(2-chloro-6-fluorophenyl)ethan-1-amine
CID 54594869
(2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine
CID 59682348
[2-bromo-4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanamine
CID 89308673
[2-Bromo-4-[3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanamine
CID 123369266

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-methylphenyl)-(3-chlorophenyl)methanamine?
The IUPAC name of (3-bromo-2-methylphenyl)-(3-chlorophenyl)methanamine (CID 115811887) is (3-bromo-2-methylphenyl)-(3-chlorophenyl)methanamine.
What is the SMILES notation for (3-bromo-2-methylphenyl)-(3-chlorophenyl)methanamine?
The canonical SMILES for (3-bromo-2-methylphenyl)-(3-chlorophenyl)methanamine is Cc1c(Br)cccc1C(N)c1cccc(Cl)c1.
What is the InChIKey of (3-bromo-2-methylphenyl)-(3-chlorophenyl)methanamine?
The InChIKey is MEGFVDDAZMPOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN/c1-9-12(6-3-7-13(9)15)14(17)10-4-2-5-11(16)8-10/h2-8,14H,17H2,1H3.
What are the key properties of (3-bromo-2-methylphenyl)-(3-chlorophenyl)methanamine?
(3-bromo-2-methylphenyl)-(3-chlorophenyl)methanamine has a molecular weight of 310.62 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-methylphenyl)-(3-chlorophenyl)methanamine is sourced from PubChem (CID 115811887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).