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

C14H13BrFNO — CID 115785913

IUPAC(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2cccc(F)c2Br)c1
InChIInChI=1S/C14H13BrFNO/c1-18-10-5-2-4-9(8-10)14(17)11-6-3-7-12(16)13(11)15/h2-8,14H,17H2,1H3
InChIKeyKTCHRRHIYSOLRF-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.64
Rot. Bonds3

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

(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanamine (PubChem CID 115785913) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanamine
PubChem CID115785913
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2cccc(F)c2Br)c1
InChIInChI=1S/C14H13BrFNO/c1-18-10-5-2-4-9(8-10)14(17)11-6-3-7-12(16)13(11)15/h2-8,14H,17H2,1H3
InChIKeyKTCHRRHIYSOLRF-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluorophenyl)-(3-methoxyphenyl)methanamine
CID 62501632
(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine
CID 105086328
N-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 115786059
(3-bromophenyl)-(3-methoxyphenyl)methanamine
CID 59671726
(2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 115851739
[3-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561286
(2-chlorophenyl)-(3-methoxyphenyl)methanamine;hydrochloride
CID 54595163
(3-fluoro-4-methylphenyl)-(3-methoxyphenyl)methanamine
CID 60819510
[2-bromo-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanamine
CID 45282000
(4-chloro-2-methylphenyl)-(3-methoxyphenyl)methanamine
CID 114028288
(2-chloro-3-fluorophenyl)-(3-methoxyphenyl)methanol
CID 114976824
2-(2-fluorophenyl)-2-(3-methoxyphenyl)ethanamine
CID 82023293

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanamine?
The IUPAC name of (2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanamine (CID 115785913) is (2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanamine.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanamine?
The canonical SMILES for (2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanamine is COc1cccc(C(N)c2cccc(F)c2Br)c1.
What is the InChIKey of (2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanamine?
The InChIKey is KTCHRRHIYSOLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-18-10-5-2-4-9(8-10)14(17)11-6-3-7-12(16)13(11)15/h2-8,14H,17H2,1H3.
What are the key properties of (2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanamine?
(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanamine has a molecular weight of 310.17 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 115785913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).