N-[[3-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]cyclopropanamine

C18H23NO — CID 106888611

IUPACN-[[3-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]cyclopropanamine
SMILESCC(C)Cc1ccc(-c2ccoc2CNC2CC2)cc1
InChIInChI=1S/C18H23NO/c1-13(2)11-14-3-5-15(6-4-14)17-9-10-20-18(17)12-19-16-7-8-16/h3-6,9-10,13,16,19H,7-8,11-12H2,1-2H3
InChIKeyZRMWPHHUVBWFCR-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.40
Rot. Bonds6

About N-[[3-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]cyclopropanamine

N-[[3-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 106888611) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[3-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID106888611
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[[3-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]cyclopropanamine
SMILESCC(C)Cc1ccc(-c2ccoc2CNC2CC2)cc1
InChIInChI=1S/C18H23NO/c1-13(2)11-14-3-5-15(6-4-14)17-9-10-20-18(17)12-19-16-7-8-16/h3-6,9-10,13,16,19H,7-8,11-12H2,1-2H3
InChIKeyZRMWPHHUVBWFCR-UHFFFAOYSA-N
XLogP4.40
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(3-propylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106888027
N-[[3-(6-methoxy-3-pyridinyl)furan-2-yl]methyl]cyclopropanamine
CID 106886975
N-[[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888739
N-[[3-(2-methylpropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62446253
N-[[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888899
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-[4-[(cyclopropylamino)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2-methylpropane-2-sulfonamide
CID 22259441
N-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106887054
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-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 103503329

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]cyclopropanamine (CID 106888611) is N-[[3-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]cyclopropanamine is CC(C)Cc1ccc(-c2ccoc2CNC2CC2)cc1.
What is the InChIKey of N-[[3-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is ZRMWPHHUVBWFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)11-14-3-5-15(6-4-14)17-9-10-20-18(17)12-19-16-7-8-16/h3-6,9-10,13,16,19H,7-8,11-12H2,1-2H3.
What are the key properties of N-[[3-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]cyclopropanamine?
N-[[3-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 269.39 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106888611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).