(5-bromo-7-chloro-4-fluoro-3-propyl-1-benzofuran-2-yl)methanamine

C12H12BrClFNO — CID 114270956

IUPAC(5-bromo-7-chloro-4-fluoro-3-propyl-1-benzofuran-2-yl)methanamine
SMILESCCCc1c(CN)oc2c(Cl)cc(Br)c(F)c12
InChIInChI=1S/C12H12BrClFNO/c1-2-3-6-9(5-16)17-12-8(14)4-7(13)11(15)10(6)12/h4H,2-3,5,16H2,1H3
InChIKeyAUUXXEVJEUEUTE-UHFFFAOYSA-N
MW320.59 g/mol
LogP4.40
Rot. Bonds3

About (5-bromo-7-chloro-4-fluoro-3-propyl-1-benzofuran-2-yl)methanamine

(5-bromo-7-chloro-4-fluoro-3-propyl-1-benzofuran-2-yl)methanamine (PubChem CID 114270956) has the molecular formula C12H12BrClFNO and a molecular weight of 320.59 g/mol. Its IUPAC name is (5-bromo-7-chloro-4-fluoro-3-propyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-7-chloro-4-fluoro-3-propyl-1-benzofuran-2-yl)methanamine
PubChem CID114270956
Molecular FormulaC12H12BrClFNO
Molecular Weight320.59 g/mol
Exact Mass318.98
IUPAC Name(5-bromo-7-chloro-4-fluoro-3-propyl-1-benzofuran-2-yl)methanamine
SMILESCCCc1c(CN)oc2c(Cl)cc(Br)c(F)c12
InChIInChI=1S/C12H12BrClFNO/c1-2-3-6-9(5-16)17-12-8(14)4-7(13)11(15)10(6)12/h4H,2-3,5,16H2,1H3
InChIKeyAUUXXEVJEUEUTE-UHFFFAOYSA-N
XLogP4.40
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.59
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (5-bromo-7-chloro-4-fluoro-3-propyl-1-benzofuran-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromo-4,7-dichloro-3-propyl-1-benzofuran-2-yl)methyl]ethanamine
CID 107662964
(4-bromo-7-methyl-3-propyl-1-benzofuran-2-yl)methanamine
CID 107287741
N-[(5-bromo-4,7-dichloro-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 107662972
(7-bromo-3-propyl-1-benzofuran-2-yl)methanamine
CID 114376595
1-(4,7-dichloro-3-propyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 114376423
[4,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114376411
[7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
CID 114376786
[4,5-difluoro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methanamine
CID 114276844
1-(5-bromo-4,7-dichloro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 107662995
(3-tert-butyl-7-chloro-5-methyl-1-benzofuran-2-yl)methanamine
CID 114377217
4,5,7-trichloro-3-propyl-1-benzofuran-2-carboxylic acid
CID 63487677
N-[(5-bromo-4,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 107662996

Frequently Asked Questions

What is the IUPAC name of (5-bromo-7-chloro-4-fluoro-3-propyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-bromo-7-chloro-4-fluoro-3-propyl-1-benzofuran-2-yl)methanamine (CID 114270956) is (5-bromo-7-chloro-4-fluoro-3-propyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-bromo-7-chloro-4-fluoro-3-propyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-bromo-7-chloro-4-fluoro-3-propyl-1-benzofuran-2-yl)methanamine is CCCc1c(CN)oc2c(Cl)cc(Br)c(F)c12.
What is the InChIKey of (5-bromo-7-chloro-4-fluoro-3-propyl-1-benzofuran-2-yl)methanamine?
The InChIKey is AUUXXEVJEUEUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClFNO/c1-2-3-6-9(5-16)17-12-8(14)4-7(13)11(15)10(6)12/h4H,2-3,5,16H2,1H3.
What are the key properties of (5-bromo-7-chloro-4-fluoro-3-propyl-1-benzofuran-2-yl)methanamine?
(5-bromo-7-chloro-4-fluoro-3-propyl-1-benzofuran-2-yl)methanamine has a molecular weight of 320.59 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-7-chloro-4-fluoro-3-propyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114270956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).