N-[(7-chloro-3-cyclopropyl-5-methyl-1-benzofuran-2-yl)methyl]propan-2-amine

C16H20ClNO — CID 114377233

IUPACN-[(7-chloro-3-cyclopropyl-5-methyl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCc1cc(Cl)c2oc(CNC(C)C)c(C3CC3)c2c1
InChIInChI=1S/C16H20ClNO/c1-9(2)18-8-14-15(11-4-5-11)12-6-10(3)7-13(17)16(12)19-14/h6-7,9,11,18H,4-5,8H2,1-3H3
InChIKeyZATVFGTWCKWAAF-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.77
Rot. Bonds4

About N-[(7-chloro-3-cyclopropyl-5-methyl-1-benzofuran-2-yl)methyl]propan-2-amine

N-[(7-chloro-3-cyclopropyl-5-methyl-1-benzofuran-2-yl)methyl]propan-2-amine (PubChem CID 114377233) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[(7-chloro-3-cyclopropyl-5-methyl-1-benzofuran-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(7-chloro-3-cyclopropyl-5-methyl-1-benzofuran-2-yl)methyl]propan-2-amine
PubChem CID114377233
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC NameN-[(7-chloro-3-cyclopropyl-5-methyl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCc1cc(Cl)c2oc(CNC(C)C)c(C3CC3)c2c1
InChIInChI=1S/C16H20ClNO/c1-9(2)18-8-14-15(11-4-5-11)12-6-10(3)7-13(17)16(12)19-14/h6-7,9,11,18H,4-5,8H2,1-3H3
InChIKeyZATVFGTWCKWAAF-UHFFFAOYSA-N
XLogP4.77
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(7-chloro-3-cyclopropyl-5-methyl-1-benzofuran-2-yl)methyl]propan-2-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-[(7-chloro-3,5-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81050139
N-[(5-bromo-4,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 107662984
N-[(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81048856
N-[(7-cyclopropylfuro[2,3-f][1,3]benzodioxol-6-yl)methyl]propan-2-amine
CID 114376554
N-[[5-bromo-7-chloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376058
N-[(7-chloro-3-ethyl-5-methyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 113459857
(3-cyclopropyl-5,7-dimethyl-1-benzofuran-2-yl)methanamine
CID 62381419
N-[(7-chloro-3,5-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 81047737
1-(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 114375475
N-[(5-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114377311
N-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 113459820
N-[(3-tert-butyl-7-chloro-5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114377235

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-3-cyclopropyl-5-methyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(7-chloro-3-cyclopropyl-5-methyl-1-benzofuran-2-yl)methyl]propan-2-amine (CID 114377233) is N-[(7-chloro-3-cyclopropyl-5-methyl-1-benzofuran-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(7-chloro-3-cyclopropyl-5-methyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(7-chloro-3-cyclopropyl-5-methyl-1-benzofuran-2-yl)methyl]propan-2-amine is Cc1cc(Cl)c2oc(CNC(C)C)c(C3CC3)c2c1.
What is the InChIKey of N-[(7-chloro-3-cyclopropyl-5-methyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The InChIKey is ZATVFGTWCKWAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c1-9(2)18-8-14-15(11-4-5-11)12-6-10(3)7-13(17)16(12)19-14/h6-7,9,11,18H,4-5,8H2,1-3H3.
What are the key properties of N-[(7-chloro-3-cyclopropyl-5-methyl-1-benzofuran-2-yl)methyl]propan-2-amine?
N-[(7-chloro-3-cyclopropyl-5-methyl-1-benzofuran-2-yl)methyl]propan-2-amine has a molecular weight of 277.80 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-3-cyclopropyl-5-methyl-1-benzofuran-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 114377233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).