1-cyclobutyl-N-[furan-2-yl(phenyl)methyl]propan-2-amine

C18H23NO — CID 115707858

IUPAC1-cyclobutyl-N-[furan-2-yl(phenyl)methyl]propan-2-amine
SMILESCC(CC1CCC1)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C18H23NO/c1-14(13-15-7-5-8-15)19-18(17-11-6-12-20-17)16-9-3-2-4-10-16/h2-4,6,9-12,14-15,18-19H,5,7-8,13H2,1H3
InChIKeyOOVFFCDNEZXDNN-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.54
Rot. Bonds6

About 1-cyclobutyl-N-[furan-2-yl(phenyl)methyl]propan-2-amine

1-cyclobutyl-N-[furan-2-yl(phenyl)methyl]propan-2-amine (PubChem CID 115707858) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-cyclobutyl-N-[furan-2-yl(phenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-[furan-2-yl(phenyl)methyl]propan-2-amine
PubChem CID115707858
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-cyclobutyl-N-[furan-2-yl(phenyl)methyl]propan-2-amine
SMILESCC(CC1CCC1)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C18H23NO/c1-14(13-15-7-5-8-15)19-18(17-11-6-12-20-17)16-9-3-2-4-10-16/h2-4,6,9-12,14-15,18-19H,5,7-8,13H2,1H3
InChIKeyOOVFFCDNEZXDNN-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[furan-2-yl(phenyl)methyl]propan-1-amine
CID 64919705
3-[[furan-2-yl(phenyl)methyl]amino]butanamide
CID 115573315
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
N-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629529
1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]propan-2-amine
CID 115707556
N-[furan-2-yl(phenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43692754
N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine
CID 60780727
2-N-[furan-2-yl(phenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477090
1-cyclopropyl-N-[1-(furan-2-yl)-2-methoxyethyl]propan-2-amine
CID 115726233
(2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8756132
N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 119109266
N-[furan-2-yl(phenyl)methyl]prop-2-en-1-amine
CID 43177085

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[furan-2-yl(phenyl)methyl]propan-2-amine?
The IUPAC name of 1-cyclobutyl-N-[furan-2-yl(phenyl)methyl]propan-2-amine (CID 115707858) is 1-cyclobutyl-N-[furan-2-yl(phenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-[furan-2-yl(phenyl)methyl]propan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-[furan-2-yl(phenyl)methyl]propan-2-amine is CC(CC1CCC1)NC(c1ccccc1)c1ccco1.
What is the InChIKey of 1-cyclobutyl-N-[furan-2-yl(phenyl)methyl]propan-2-amine?
The InChIKey is OOVFFCDNEZXDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(13-15-7-5-8-15)19-18(17-11-6-12-20-17)16-9-3-2-4-10-16/h2-4,6,9-12,14-15,18-19H,5,7-8,13H2,1H3.
What are the key properties of 1-cyclobutyl-N-[furan-2-yl(phenyl)methyl]propan-2-amine?
1-cyclobutyl-N-[furan-2-yl(phenyl)methyl]propan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[furan-2-yl(phenyl)methyl]propan-2-amine is sourced from PubChem (CID 115707858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).