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

C17H21NO — CID 64919705

IUPAC1-cyclopropyl-N-[furan-2-yl(phenyl)methyl]propan-1-amine
SMILESCCC(NC(c1ccccc1)c1ccco1)C1CC1
InChIInChI=1S/C17H21NO/c1-2-15(13-10-11-13)18-17(16-9-6-12-19-16)14-7-4-3-5-8-14/h3-9,12-13,15,17-18H,2,10-11H2,1H3
InChIKeyQPSOBRLKRANCDY-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.15
Rot. Bonds6

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

1-cyclopropyl-N-[furan-2-yl(phenyl)methyl]propan-1-amine (PubChem CID 64919705) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-[furan-2-yl(phenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[furan-2-yl(phenyl)methyl]propan-1-amine
PubChem CID64919705
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-cyclopropyl-N-[furan-2-yl(phenyl)methyl]propan-1-amine
SMILESCCC(NC(c1ccccc1)c1ccco1)C1CC1
InChIInChI=1S/C17H21NO/c1-2-15(13-10-11-13)18-17(16-9-6-12-19-16)14-7-4-3-5-8-14/h3-9,12-13,15,17-18H,2,10-11H2,1H3
InChIKeyQPSOBRLKRANCDY-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

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Related Compounds

1-cyclopropyl-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403177
1-cyclobutyl-N-[furan-2-yl(phenyl)methyl]propan-2-amine
CID 115707858
N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine
CID 60780727
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
3-[[furan-2-yl(phenyl)methyl]amino]pentan-1-ol
CID 104531232
(2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8756132
3-ethyl-1-[[furan-2-yl(phenyl)methyl]amino]pentan-2-ol
CID 104531149
N-[furan-2-yl(phenyl)methyl]hex-1-yn-3-amine
CID 106226699
2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid
CID 65055569
N-(1-cyclopropylethyl)-1-(furan-2-yl)propan-1-amine
CID 62632332
2-(1-cyclohexylpropylamino)-1-(furan-2-yl)ethanol
CID 62406474
2-N-[furan-2-yl(phenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477090

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[furan-2-yl(phenyl)methyl]propan-1-amine?
The IUPAC name of 1-cyclopropyl-N-[furan-2-yl(phenyl)methyl]propan-1-amine (CID 64919705) is 1-cyclopropyl-N-[furan-2-yl(phenyl)methyl]propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-[furan-2-yl(phenyl)methyl]propan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-[furan-2-yl(phenyl)methyl]propan-1-amine is CCC(NC(c1ccccc1)c1ccco1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[furan-2-yl(phenyl)methyl]propan-1-amine?
The InChIKey is QPSOBRLKRANCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-15(13-10-11-13)18-17(16-9-6-12-19-16)14-7-4-3-5-8-14/h3-9,12-13,15,17-18H,2,10-11H2,1H3.
What are the key properties of 1-cyclopropyl-N-[furan-2-yl(phenyl)methyl]propan-1-amine?
1-cyclopropyl-N-[furan-2-yl(phenyl)methyl]propan-1-amine 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 1-cyclopropyl-N-[furan-2-yl(phenyl)methyl]propan-1-amine is sourced from PubChem (CID 64919705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).