N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-1-phenylbutan-1-amine

C17H23NO — CID 81403421

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-1-phenylbutan-1-amine
SMILESCC(C)CC(N[C@H](C)c1ccco1)c1ccccc1
InChIInChI=1S/C17H23NO/c1-13(2)12-16(15-8-5-4-6-9-15)18-14(3)17-10-7-11-19-17/h4-11,13-14,16,18H,12H2,1-3H3/t14-,16?/m1/s1
InChIKeyIRHLETQVPAYABH-IURRXHLWSA-N
MW257.38 g/mol
LogP4.72
Rot. Bonds6

About N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-1-phenylbutan-1-amine

N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-1-phenylbutan-1-amine (PubChem CID 81403421) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-1-phenylbutan-1-amine
PubChem CID81403421
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-1-phenylbutan-1-amine
SMILESCC(C)CC(N[C@H](C)c1ccco1)c1ccccc1
InChIInChI=1S/C17H23NO/c1-13(2)12-16(15-8-5-4-6-9-15)18-14(3)17-10-7-11-19-17/h4-11,13-14,16,18H,12H2,1-3H3/t14-,16?/m1/s1
InChIKeyIRHLETQVPAYABH-IURRXHLWSA-N
XLogP4.72
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-phenyl-N-(1-phenylethyl)butan-1-amine
CID 43081295
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351399
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
N-[(1R)-1-(furan-2-yl)ethyl]-1-phenylhexan-1-amine
CID 81403415
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
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
2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine
CID 63438592
3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylbutan-1-amine
CID 81348350
1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403395
3-methyl-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81405533

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-1-phenylbutan-1-amine?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-1-phenylbutan-1-amine (CID 81403421) is N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-1-phenylbutan-1-amine.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-1-phenylbutan-1-amine?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-1-phenylbutan-1-amine is CC(C)CC(N[C@H](C)c1ccco1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-1-phenylbutan-1-amine?
The InChIKey is IRHLETQVPAYABH-IURRXHLWSA-N. The full InChI is InChI=1S/C17H23NO/c1-13(2)12-16(15-8-5-4-6-9-15)18-14(3)17-10-7-11-19-17/h4-11,13-14,16,18H,12H2,1-3H3/t14-,16?/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-1-phenylbutan-1-amine?
N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-1-phenylbutan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.72, 6 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]-3-methyl-1-phenylbutan-1-amine is sourced from PubChem (CID 81403421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).