(3-bromo-5-chlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine

C11H11BrClNO — CID 107947022

IUPAC(3-bromo-5-chlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine
SMILESNC(C1=CCCO1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H11BrClNO/c12-8-4-7(5-9(13)6-8)11(14)10-2-1-3-15-10/h2,4-6,11H,1,3,14H2
InChIKeyHYECVPRQJOKPQI-UHFFFAOYSA-N
MW288.57 g/mol
LogP3.41
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine

(3-bromo-5-chlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine (PubChem CID 107947022) has the molecular formula C11H11BrClNO and a molecular weight of 288.57 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine
PubChem CID107947022
Molecular FormulaC11H11BrClNO
Molecular Weight288.57 g/mol
Exact Mass286.97
IUPAC Name(3-bromo-5-chlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine
SMILESNC(C1=CCCO1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H11BrClNO/c12-8-4-7(5-9(13)6-8)11(14)10-2-1-3-15-10/h2,4-6,11H,1,3,14H2
InChIKeyHYECVPRQJOKPQI-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.57
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 102653132
(2,6-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine
CID 102653572
(3-bromo-5-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 107950523
(3-bromo-5-chlorophenyl)-(5-bromothiophen-2-yl)methanamine
CID 107950502
2,3-dihydrofuran-5-yl-(4-ethylphenyl)methanamine
CID 102651207
1-(3-bromo-5-methylphenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652981
(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanamine
CID 107950627
(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethylphenyl)methanamine
CID 107950603
(1S)-1-(3-bromo-5-chlorophenyl)-2,2,2-trifluoroethanamine
CID 130692112
(4-bromo-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102648870
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
CID 139745260
(3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647123

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine?
The IUPAC name of (3-bromo-5-chlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine (CID 107947022) is (3-bromo-5-chlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine is NC(C1=CCCO1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine?
The InChIKey is HYECVPRQJOKPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO/c12-8-4-7(5-9(13)6-8)11(14)10-2-1-3-15-10/h2,4-6,11H,1,3,14H2.
What are the key properties of (3-bromo-5-chlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine?
(3-bromo-5-chlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine has a molecular weight of 288.57 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine is sourced from PubChem (CID 107947022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).