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

C17H23NO — CID 107876308

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine
SMILESCC(C)C(CN[C@@H](C)c1ccco1)c1ccccc1
InChIInChI=1S/C17H23NO/c1-13(2)16(15-8-5-4-6-9-15)12-18-14(3)17-10-7-11-19-17/h4-11,13-14,16,18H,12H2,1-3H3/t14-,16?/m0/s1
InChIKeyLRXBHBBXXMEADR-LBAUFKAWSA-N
MW257.38 g/mol
LogP4.37
Rot. Bonds6

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

N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine (PubChem CID 107876308) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine
PubChem CID107876308
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine
SMILESCC(C)C(CN[C@@H](C)c1ccco1)c1ccccc1
InChIInChI=1S/C17H23NO/c1-13(2)16(15-8-5-4-6-9-15)12-18-14(3)17-10-7-11-19-17/h4-11,13-14,16,18H,12H2,1-3H3/t14-,16?/m0/s1
InChIKeyLRXBHBBXXMEADR-LBAUFKAWSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43201793
3-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylpropanoic acid
CID 81399651
1-[1-(furan-2-yl)ethylamino]-3-(1-phenylethoxy)propan-2-ol
CID 60910178
3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine
CID 107876315
(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-(furan-2-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202373
N-[1-(2-chlorophenyl)ethyl]-3-methyl-2-phenylbutan-1-amine
CID 107875843
N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine
CID 81403881
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol
CID 81399726
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine
CID 81400852

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine (CID 107876308) is N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine is CC(C)C(CN[C@@H](C)c1ccco1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine?
The InChIKey is LRXBHBBXXMEADR-LBAUFKAWSA-N. The full InChI is InChI=1S/C17H23NO/c1-13(2)16(15-8-5-4-6-9-15)12-18-14(3)17-10-7-11-19-17/h4-11,13-14,16,18H,12H2,1-3H3/t14-,16?/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine?
N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 107876308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).