N-[(7-chloro-5-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine

C14H18ClNO — CID 65440562

IUPACN-[(7-chloro-5-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
SMILESCc1cc(Cl)c2oc(CNCC(C)C)cc2c1
InChIInChI=1S/C14H18ClNO/c1-9(2)7-16-8-12-6-11-4-10(3)5-13(15)14(11)17-12/h4-6,9,16H,7-8H2,1-3H3
InChIKeyXXSXOHQFWGAVCL-UHFFFAOYSA-N
MW251.76 g/mol
LogP4.14
Rot. Bonds4

About N-[(7-chloro-5-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine

N-[(7-chloro-5-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 65440562) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is N-[(7-chloro-5-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(7-chloro-5-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID65440562
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC NameN-[(7-chloro-5-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
SMILESCc1cc(Cl)c2oc(CNCC(C)C)cc2c1
InChIInChI=1S/C14H18ClNO/c1-9(2)7-16-8-12-6-11-4-10(3)5-13(15)14(11)17-12/h4-6,9,16H,7-8H2,1-3H3
InChIKeyXXSXOHQFWGAVCL-UHFFFAOYSA-N
XLogP4.14
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(7-chloro-5-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine 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-7-chloro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 65438424
N-[(7-bromo-5-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 65438810
N-[(7-chloro-5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 65440369
(7-chloro-5-methyl-1-benzofuran-2-yl)methanol
CID 65440518
N-[(7-chloro-3,5-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 81047737
N-[(5-bromo-4,7-dichloro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 107662163
N-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 115402991
N-[(5,7-dichloro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65438619
N-[(4,6-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 65439958
N-[(4-bromo-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 107287166
N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 63496647
N-[(5-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 65440527

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-5-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(7-chloro-5-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine (CID 65440562) is N-[(7-chloro-5-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(7-chloro-5-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(7-chloro-5-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine is Cc1cc(Cl)c2oc(CNCC(C)C)cc2c1.
What is the InChIKey of N-[(7-chloro-5-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is XXSXOHQFWGAVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-9(2)7-16-8-12-6-11-4-10(3)5-13(15)14(11)17-12/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of N-[(7-chloro-5-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
N-[(7-chloro-5-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 251.76 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-5-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65440562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).