(2-bromo-5-methylphenyl)-(furan-2-yl)methanamine

C12H12BrNO — CID 81109749

IUPAC(2-bromo-5-methylphenyl)-(furan-2-yl)methanamine
SMILESCc1ccc(Br)c(C(N)c2ccco2)c1
InChIInChI=1S/C12H12BrNO/c1-8-4-5-10(13)9(7-8)12(14)11-3-2-6-15-11/h2-7,12H,14H2,1H3
InChIKeyDZDYTHSUSVJBDU-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.40
Rot. Bonds2

About (2-bromo-5-methylphenyl)-(furan-2-yl)methanamine

(2-bromo-5-methylphenyl)-(furan-2-yl)methanamine (PubChem CID 81109749) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(furan-2-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(furan-2-yl)methanamine
PubChem CID81109749
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name(2-bromo-5-methylphenyl)-(furan-2-yl)methanamine
SMILESCc1ccc(Br)c(C(N)c2ccco2)c1
InChIInChI=1S/C12H12BrNO/c1-8-4-5-10(13)9(7-8)12(14)11-3-2-6-15-11/h2-7,12H,14H2,1H3
InChIKeyDZDYTHSUSVJBDU-UHFFFAOYSA-N
XLogP3.40
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine
CID 51690800
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281
(4-bromo-2-methoxyphenyl)-(furan-2-yl)methanamine
CID 115368966
(2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301728
(1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine
CID 131010900
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine
CID 81110803
(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methanamine
CID 104991668
(2-bromo-5-methylphenyl)-(3-ethylphenyl)methanamine
CID 105018919
(2,3-difluoro-4-methylphenyl)-(furan-2-yl)methanamine
CID 107513300
(2-bromo-5-methylphenyl)-(4-ethylphenyl)methanamine
CID 81109837
(2-bromo-5-methylphenyl)-(3,5-dimethoxyphenyl)methanamine
CID 105013705
(2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115850757

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(furan-2-yl)methanamine?
The IUPAC name of (2-bromo-5-methylphenyl)-(furan-2-yl)methanamine (CID 81109749) is (2-bromo-5-methylphenyl)-(furan-2-yl)methanamine.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(furan-2-yl)methanamine?
The canonical SMILES for (2-bromo-5-methylphenyl)-(furan-2-yl)methanamine is Cc1ccc(Br)c(C(N)c2ccco2)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(furan-2-yl)methanamine?
The InChIKey is DZDYTHSUSVJBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-8-4-5-10(13)9(7-8)12(14)11-3-2-6-15-11/h2-7,12H,14H2,1H3.
What are the key properties of (2-bromo-5-methylphenyl)-(furan-2-yl)methanamine?
(2-bromo-5-methylphenyl)-(furan-2-yl)methanamine has a molecular weight of 266.14 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-(furan-2-yl)methanamine is sourced from PubChem (CID 81109749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).