N-[(1R)-1-(furan-2-yl)ethyl]-1-phenylhexan-1-amine

C18H25NO — CID 81403415

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-1-phenylhexan-1-amine
SMILESCCCCCC(N[C@H](C)c1ccco1)c1ccccc1
InChIInChI=1S/C18H25NO/c1-3-4-6-12-17(16-10-7-5-8-11-16)19-15(2)18-13-9-14-20-18/h5,7-11,13-15,17,19H,3-4,6,12H2,1-2H3/t15-,17?/m1/s1
InChIKeyXVZYSTRPBPXBNN-LDCVWXEPSA-N
MW271.40 g/mol
LogP5.25
Rot. Bonds8

About N-[(1R)-1-(furan-2-yl)ethyl]-1-phenylhexan-1-amine

N-[(1R)-1-(furan-2-yl)ethyl]-1-phenylhexan-1-amine (PubChem CID 81403415) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-1-phenylhexan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-1-phenylhexan-1-amine
PubChem CID81403415
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-1-phenylhexan-1-amine
SMILESCCCCCC(N[C@H](C)c1ccco1)c1ccccc1
InChIInChI=1S/C18H25NO/c1-3-4-6-12-17(16-10-7-5-8-11-16)19-15(2)18-13-9-14-20-18/h5,7-11,13-15,17,19H,3-4,6,12H2,1-2H3/t15-,17?/m1/s1
InChIKeyXVZYSTRPBPXBNN-LDCVWXEPSA-N
XLogP5.25
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.40
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-1-phenylbutan-1-amine
CID 81403421
N-(1-phenylpentyl)octan-2-amine
CID 43791089
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine
CID 81395700
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
1-(furan-2-yl)-N-(1-phenylethyl)propan-1-amine
CID 62631959
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
CID 81402655
1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403395
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
N-[1-(furan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962630
2,4-dimethyl-N-(1-phenylpentyl)pentan-3-amine
CID 10659103

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-1-phenylhexan-1-amine?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-1-phenylhexan-1-amine (CID 81403415) is N-[(1R)-1-(furan-2-yl)ethyl]-1-phenylhexan-1-amine.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-1-phenylhexan-1-amine?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-1-phenylhexan-1-amine is CCCCCC(N[C@H](C)c1ccco1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-1-phenylhexan-1-amine?
The InChIKey is XVZYSTRPBPXBNN-LDCVWXEPSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-4-6-12-17(16-10-7-5-8-11-16)19-15(2)18-13-9-14-20-18/h5,7-11,13-15,17,19H,3-4,6,12H2,1-2H3/t15-,17?/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-1-phenylhexan-1-amine?
N-[(1R)-1-(furan-2-yl)ethyl]-1-phenylhexan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]-1-phenylhexan-1-amine is sourced from PubChem (CID 81403415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).