N-[(7-tert-butyl-1-benzofuran-2-yl)methyl]cyclopropanamine

C16H21NO — CID 65438821

IUPACN-[(7-tert-butyl-1-benzofuran-2-yl)methyl]cyclopropanamine
SMILESCC(C)(C)c1cccc2cc(CNC3CC3)oc12
InChIInChI=1S/C16H21NO/c1-16(2,3)14-6-4-5-11-9-13(18-15(11)14)10-17-12-7-8-12/h4-6,9,12,17H,7-8,10H2,1-3H3
InChIKeyHBXZJFDRKNDYEB-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.98
Rot. Bonds3

About N-[(7-tert-butyl-1-benzofuran-2-yl)methyl]cyclopropanamine

N-[(7-tert-butyl-1-benzofuran-2-yl)methyl]cyclopropanamine (PubChem CID 65438821) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(7-tert-butyl-1-benzofuran-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(7-tert-butyl-1-benzofuran-2-yl)methyl]cyclopropanamine
PubChem CID65438821
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[(7-tert-butyl-1-benzofuran-2-yl)methyl]cyclopropanamine
SMILESCC(C)(C)c1cccc2cc(CNC3CC3)oc12
InChIInChI=1S/C16H21NO/c1-16(2,3)14-6-4-5-11-9-13(18-15(11)14)10-17-12-7-8-12/h4-6,9,12,17H,7-8,10H2,1-3H3
InChIKeyHBXZJFDRKNDYEB-UHFFFAOYSA-N
XLogP3.98
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(7-tert-butyl-1-benzofuran-2-yl)methyl]cyclopropanamine 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

2-[(cyclobutylamino)methyl]-1-benzofuran-7-ol
CID 117182713
N-[(7-tert-butyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114376722
N-[(7-methoxy-1-benzofuran-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696388
N-(1-benzofuran-2-ylmethyl)cyclopentanamine
CID 28610923
N-[(7-chloro-5-phenyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 65440163
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1,1-dioxothiolan-3-amine
CID 43222617
N-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 113303052
N-[(5-phenoxy-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 65440151
2-[(cyclopropylamino)methyl]-1-benzofuran-6-amine
CID 117179242
1-benzyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-3-amine
CID 55684158
N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine
CID 54950067
1-cyclopentyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]methanamine
CID 43432532

Frequently Asked Questions

What is the IUPAC name of N-[(7-tert-butyl-1-benzofuran-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(7-tert-butyl-1-benzofuran-2-yl)methyl]cyclopropanamine (CID 65438821) is N-[(7-tert-butyl-1-benzofuran-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(7-tert-butyl-1-benzofuran-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(7-tert-butyl-1-benzofuran-2-yl)methyl]cyclopropanamine is CC(C)(C)c1cccc2cc(CNC3CC3)oc12.
What is the InChIKey of N-[(7-tert-butyl-1-benzofuran-2-yl)methyl]cyclopropanamine?
The InChIKey is HBXZJFDRKNDYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-16(2,3)14-6-4-5-11-9-13(18-15(11)14)10-17-12-7-8-12/h4-6,9,12,17H,7-8,10H2,1-3H3.
What are the key properties of N-[(7-tert-butyl-1-benzofuran-2-yl)methyl]cyclopropanamine?
N-[(7-tert-butyl-1-benzofuran-2-yl)methyl]cyclopropanamine has a molecular weight of 243.35 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-tert-butyl-1-benzofuran-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 65438821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).