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

C14H12Br2FN — CID 107985569

IUPAC(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2cccc(Br)c2F)c1Br
InChIInChI=1S/C14H12Br2FN/c1-8-4-2-5-9(12(8)16)14(18)10-6-3-7-11(15)13(10)17/h2-7,14H,18H2,1H3
InChIKeyOSMSQSFNCNYPSG-UHFFFAOYSA-N
MW373.06 g/mol
LogP4.71
Rot. Bonds2

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

(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine (PubChem CID 107985569) has the molecular formula C14H12Br2FN and a molecular weight of 373.06 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
PubChem CID107985569
Molecular FormulaC14H12Br2FN
Molecular Weight373.06 g/mol
Exact Mass370.93
IUPAC Name(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2cccc(Br)c2F)c1Br
InChIInChI=1S/C14H12Br2FN/c1-8-4-2-5-9(12(8)16)14(18)10-6-3-7-11(15)13(10)17/h2-7,14H,18H2,1H3
InChIKeyOSMSQSFNCNYPSG-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.06
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine
CID 106648243
(4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine
CID 106646192
(3-bromo-2-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 107950729
(3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine
CID 106647803
(3-bromo-2-fluorophenyl)-(4-chloro-2-methylphenyl)methanamine
CID 114028370
(5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985209
(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107982138
(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 106645247
(2-bromo-3-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 107982155
(2-bromo-3-methylphenyl)-(4-fluoronaphthalen-1-yl)methanamine
CID 107982030
(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 106764463
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine (CID 107985569) is (3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine is Cc1cccc(C(N)c2cccc(Br)c2F)c1Br.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine?
The InChIKey is OSMSQSFNCNYPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FN/c1-8-4-2-5-9(12(8)16)14(18)10-6-3-7-11(15)13(10)17/h2-7,14H,18H2,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine?
(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine has a molecular weight of 373.06 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine is sourced from PubChem (CID 107985569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).