(2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine

C12H11BrClNO — CID 107987483

IUPAC(2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(C(N)c2ccc(Cl)cc2Br)o1
InChIInChI=1S/C12H11BrClNO/c1-7-2-5-11(16-7)12(15)9-4-3-8(14)6-10(9)13/h2-6,12H,15H2,1H3
InChIKeySUYHXBDRYKXIJT-UHFFFAOYSA-N
MW300.58 g/mol
LogP4.05
Rot. Bonds2

About (2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine

(2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine (PubChem CID 107987483) has the molecular formula C12H11BrClNO and a molecular weight of 300.58 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine
PubChem CID107987483
Molecular FormulaC12H11BrClNO
Molecular Weight300.58 g/mol
Exact Mass298.97
IUPAC Name(2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(C(N)c2ccc(Cl)cc2Br)o1
InChIInChI=1S/C12H11BrClNO/c1-7-2-5-11(16-7)12(15)9-4-3-8(14)6-10(9)13/h2-6,12H,15H2,1H3
InChIKeySUYHXBDRYKXIJT-UHFFFAOYSA-N
XLogP4.05
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.58
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methanamine;hydrochloride
CID 135262901
(2-bromo-4-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 107987487
(2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine
CID 43464484
(2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine
CID 114024420
(4-bromothiophen-3-yl)-(5-methylfuran-2-yl)methanamine
CID 105010579
2-(2-bromo-4-chlorophenyl)-5-methylfuran
CID 54858979
(2-bromo-4-chlorophenyl)-(3-bromofuran-2-yl)methanamine
CID 107993309
2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 81263735
(2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 107987604
(2-bromo-4-chlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 107995034
(1R)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
CID 131128779
(1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
CID 130613122

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine?
The IUPAC name of (2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine (CID 107987483) is (2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine is Cc1ccc(C(N)c2ccc(Cl)cc2Br)o1.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine?
The InChIKey is SUYHXBDRYKXIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO/c1-7-2-5-11(16-7)12(15)9-4-3-8(14)6-10(9)13/h2-6,12H,15H2,1H3.
What are the key properties of (2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine?
(2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine has a molecular weight of 300.58 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 107987483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).