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

C17H21NO — CID 106888027

IUPACN-[[3-(3-propylphenyl)furan-2-yl]methyl]cyclopropanamine
SMILESCCCc1cccc(-c2ccoc2CNC2CC2)c1
InChIInChI=1S/C17H21NO/c1-2-4-13-5-3-6-14(11-13)16-9-10-19-17(16)12-18-15-7-8-15/h3,5-6,9-11,15,18H,2,4,7-8,12H2,1H3
InChIKeyVKMNKGNLJCGNFD-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.15
Rot. Bonds6

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

N-[[3-(3-propylphenyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 106888027) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[3-(3-propylphenyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-propylphenyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID106888027
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[[3-(3-propylphenyl)furan-2-yl]methyl]cyclopropanamine
SMILESCCCc1cccc(-c2ccoc2CNC2CC2)c1
InChIInChI=1S/C17H21NO/c1-2-4-13-5-3-6-14(11-13)16-9-10-19-17(16)12-18-15-7-8-15/h3,5-6,9-11,15,18H,2,4,7-8,12H2,1H3
InChIKeyVKMNKGNLJCGNFD-UHFFFAOYSA-N
XLogP4.15
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-(3-propylphenyl)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-(3-cyclopropyloxyphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106888078
N-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine
CID 116545362
N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 116545369
N-[[3-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]cyclopropanamine
CID 106888611
N-[[3-(3-ethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887777
N-[[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888739
N-[[3-(2-cyclobutylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106888100
N-[(3-methylfuran-2-yl)methyl]-4-propylcyclohexan-1-amine
CID 115652704
N-[[3-[(3-ethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62450134
N-[[3-(2-fluoro-5-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106886738
N-[[3-(6-methoxy-3-pyridinyl)furan-2-yl]methyl]cyclopropanamine
CID 106886975
N-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106887054

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-propylphenyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-propylphenyl)furan-2-yl]methyl]cyclopropanamine (CID 106888027) is N-[[3-(3-propylphenyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-propylphenyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-propylphenyl)furan-2-yl]methyl]cyclopropanamine is CCCc1cccc(-c2ccoc2CNC2CC2)c1.
What is the InChIKey of N-[[3-(3-propylphenyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is VKMNKGNLJCGNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-4-13-5-3-6-14(11-13)16-9-10-19-17(16)12-18-15-7-8-15/h3,5-6,9-11,15,18H,2,4,7-8,12H2,1H3.
What are the key properties of N-[[3-(3-propylphenyl)furan-2-yl]methyl]cyclopropanamine?
N-[[3-(3-propylphenyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 255.36 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-propylphenyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106888027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).