N-[furan-2-yl(phenyl)methyl]hex-1-yn-3-amine

C17H19NO — CID 106226699

IUPACN-[furan-2-yl(phenyl)methyl]hex-1-yn-3-amine
SMILESC#CC(CCC)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C17H19NO/c1-3-9-15(4-2)18-17(16-12-8-13-19-16)14-10-6-5-7-11-14/h2,5-8,10-13,15,17-18H,3,9H2,1H3
InChIKeyHHYDHYXFYAZONY-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.76
Rot. Bonds6

About N-[furan-2-yl(phenyl)methyl]hex-1-yn-3-amine

N-[furan-2-yl(phenyl)methyl]hex-1-yn-3-amine (PubChem CID 106226699) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]hex-1-yn-3-amine.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]hex-1-yn-3-amine
PubChem CID106226699
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC NameN-[furan-2-yl(phenyl)methyl]hex-1-yn-3-amine
SMILESC#CC(CCC)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C17H19NO/c1-3-9-15(4-2)18-17(16-12-8-13-19-16)14-10-6-5-7-11-14/h2,5-8,10-13,15,17-18H,3,9H2,1H3
InChIKeyHHYDHYXFYAZONY-UHFFFAOYSA-N
XLogP3.76
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid
CID 65055569
3-[[furan-2-yl(phenyl)methyl]amino]pentan-1-ol
CID 104531232
1-(furan-2-yl)-2-(hex-1-yn-3-ylamino)ethanol
CID 106229854
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
2-(hex-1-yn-3-ylamino)-2-phenylacetic acid
CID 106231897
N-[cyclopropyl(phenyl)methyl]hex-1-yn-3-amine
CID 114160919
N-(3,3,3-trifluoro-1-phenylpropyl)hex-1-yn-3-amine
CID 106226313
1-cyclopropyl-N-[furan-2-yl(phenyl)methyl]propan-1-amine
CID 64919705
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]pent-1-yn-3-amine
CID 114160682
4-[(pent-1-yn-3-ylamino)-phenylmethyl]phenol
CID 106224824
(2R)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 8756342

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]hex-1-yn-3-amine?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]hex-1-yn-3-amine (CID 106226699) is N-[furan-2-yl(phenyl)methyl]hex-1-yn-3-amine.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]hex-1-yn-3-amine?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]hex-1-yn-3-amine is C#CC(CCC)NC(c1ccccc1)c1ccco1.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]hex-1-yn-3-amine?
The InChIKey is HHYDHYXFYAZONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-9-15(4-2)18-17(16-12-8-13-19-16)14-10-6-5-7-11-14/h2,5-8,10-13,15,17-18H,3,9H2,1H3.
What are the key properties of N-[furan-2-yl(phenyl)methyl]hex-1-yn-3-amine?
N-[furan-2-yl(phenyl)methyl]hex-1-yn-3-amine has a molecular weight of 253.35 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]hex-1-yn-3-amine is sourced from PubChem (CID 106226699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).