(4,6-dichloro-3-propan-2-yl-1-benzofuran-2-yl)methanamine

C12H13Cl2NO — CID 114377042

IUPAC(4,6-dichloro-3-propan-2-yl-1-benzofuran-2-yl)methanamine
SMILESCC(C)c1c(CN)oc2cc(Cl)cc(Cl)c12
InChIInChI=1S/C12H13Cl2NO/c1-6(2)11-10(5-15)16-9-4-7(13)3-8(14)12(9)11/h3-4,6H,5,15H2,1-2H3
InChIKeyQUJKXULPLPYKPF-UHFFFAOYSA-N
MW258.15 g/mol
LogP4.32
Rot. Bonds2

About (4,6-dichloro-3-propan-2-yl-1-benzofuran-2-yl)methanamine

(4,6-dichloro-3-propan-2-yl-1-benzofuran-2-yl)methanamine (PubChem CID 114377042) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is (4,6-dichloro-3-propan-2-yl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(4,6-dichloro-3-propan-2-yl-1-benzofuran-2-yl)methanamine
PubChem CID114377042
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name(4,6-dichloro-3-propan-2-yl-1-benzofuran-2-yl)methanamine
SMILESCC(C)c1c(CN)oc2cc(Cl)cc(Cl)c12
InChIInChI=1S/C12H13Cl2NO/c1-6(2)11-10(5-15)16-9-4-7(13)3-8(14)12(9)11/h3-4,6H,5,15H2,1-2H3
InChIKeyQUJKXULPLPYKPF-UHFFFAOYSA-N
XLogP4.32
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4,6-dichloro-3-propan-2-yl-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-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 81049245
N-[[4,6-dichloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114377044
N-[(4,6-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114377035
N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 81048672
(5-chloro-3-methoxy-2-propan-2-ylphenyl)methanamine
CID 84680067
[5-chloro-3-(2,4-dichlorophenyl)-1-benzofuran-2-yl]methanamine
CID 54031245
4,6-dichloro-2-propan-2-yl-1,3-benzoxazole
CID 82231317
5,7-dichloro-2-methyl-3-propan-2-ylquinolin-4-amine
CID 62913846
1,3-dichloro-6-methyldibenzofuran
CID 526434
[4,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114376411
5,7-dichloro-3-propan-2-yl-1-benzofuran-2-carboxylic acid
CID 55068494
bis(2,4,6-trichlorophenyl)methanamine
CID 139635169

Frequently Asked Questions

What is the IUPAC name of (4,6-dichloro-3-propan-2-yl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (4,6-dichloro-3-propan-2-yl-1-benzofuran-2-yl)methanamine (CID 114377042) is (4,6-dichloro-3-propan-2-yl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (4,6-dichloro-3-propan-2-yl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (4,6-dichloro-3-propan-2-yl-1-benzofuran-2-yl)methanamine is CC(C)c1c(CN)oc2cc(Cl)cc(Cl)c12.
What is the InChIKey of (4,6-dichloro-3-propan-2-yl-1-benzofuran-2-yl)methanamine?
The InChIKey is QUJKXULPLPYKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-6(2)11-10(5-15)16-9-4-7(13)3-8(14)12(9)11/h3-4,6H,5,15H2,1-2H3.
What are the key properties of (4,6-dichloro-3-propan-2-yl-1-benzofuran-2-yl)methanamine?
(4,6-dichloro-3-propan-2-yl-1-benzofuran-2-yl)methanamine has a molecular weight of 258.15 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dichloro-3-propan-2-yl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114377042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).