N-[[3-(2-cyclobutylphenyl)furan-2-yl]methyl]cyclopropanamine

C18H21NO — CID 106888100

IUPACN-[[3-(2-cyclobutylphenyl)furan-2-yl]methyl]cyclopropanamine
SMILESc1ccc(C2CCC2)c(-c2ccoc2CNC2CC2)c1
InChIInChI=1S/C18H21NO/c1-2-7-16(15(6-1)13-4-3-5-13)17-10-11-20-18(17)12-19-14-8-9-14/h1-2,6-7,10-11,13-14,19H,3-5,8-9,12H2
InChIKeyALUJZJUSIHKKDQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.47
Rot. Bonds5

About N-[[3-(2-cyclobutylphenyl)furan-2-yl]methyl]cyclopropanamine

N-[[3-(2-cyclobutylphenyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 106888100) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[3-(2-cyclobutylphenyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2-cyclobutylphenyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID106888100
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[[3-(2-cyclobutylphenyl)furan-2-yl]methyl]cyclopropanamine
SMILESc1ccc(C2CCC2)c(-c2ccoc2CNC2CC2)c1
InChIInChI=1S/C18H21NO/c1-2-7-16(15(6-1)13-4-3-5-13)17-10-11-20-18(17)12-19-14-8-9-14/h1-2,6-7,10-11,13-14,19H,3-5,8-9,12H2
InChIKeyALUJZJUSIHKKDQ-UHFFFAOYSA-N
XLogP4.47
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-(2-cyclobutylphenyl)furan-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

N-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine
CID 114605475
N-[[3-(3-propylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106888027
N-[[3-(3-cyclopropyloxyphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106888078
N-[[3-(2-fluoro-5-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106886738
N-[[3-(3-phenyltriazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888124
N-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106887054
N-[[3-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]cyclopropanamine
CID 106888611
N-[[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888899
N-[[3-(3-bromo-2,6-difluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 106943314
N-[(3-bromofuran-2-yl)methyl]cyclohexanamine
CID 103675127
N-[4-[2-[(cyclopropylamino)methyl]furan-3-yl]butyl]cyclopropanamine
CID 66324064
1-cyclobutyl-2-phenylbenzene
CID 23453799

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-cyclobutylphenyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2-cyclobutylphenyl)furan-2-yl]methyl]cyclopropanamine (CID 106888100) is N-[[3-(2-cyclobutylphenyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2-cyclobutylphenyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2-cyclobutylphenyl)furan-2-yl]methyl]cyclopropanamine is c1ccc(C2CCC2)c(-c2ccoc2CNC2CC2)c1.
What is the InChIKey of N-[[3-(2-cyclobutylphenyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is ALUJZJUSIHKKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-7-16(15(6-1)13-4-3-5-13)17-10-11-20-18(17)12-19-14-8-9-14/h1-2,6-7,10-11,13-14,19H,3-5,8-9,12H2.
What are the key properties of N-[[3-(2-cyclobutylphenyl)furan-2-yl]methyl]cyclopropanamine?
N-[[3-(2-cyclobutylphenyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 267.37 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-cyclobutylphenyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106888100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).