(2S)-N-[(4-ethylphenyl)methyl]-4-(furan-2-yl)butan-2-amine

C17H23NO — CID 29274829

IUPAC(2S)-N-[(4-ethylphenyl)methyl]-4-(furan-2-yl)butan-2-amine
SMILESCCc1ccc(CN[C@@H](C)CCc2ccco2)cc1
InChIInChI=1S/C17H23NO/c1-3-15-7-9-16(10-8-15)13-18-14(2)6-11-17-5-4-12-19-17/h4-5,7-10,12,14,18H,3,6,11,13H2,1-2H3/t14-/m0/s1
InChIKeyNDTICWHPRHEGNZ-AWEZNQCLSA-N
MW257.38 g/mol
LogP3.95
Rot. Bonds7

About (2S)-N-[(4-ethylphenyl)methyl]-4-(furan-2-yl)butan-2-amine

(2S)-N-[(4-ethylphenyl)methyl]-4-(furan-2-yl)butan-2-amine (PubChem CID 29274829) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (2S)-N-[(4-ethylphenyl)methyl]-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(4-ethylphenyl)methyl]-4-(furan-2-yl)butan-2-amine
PubChem CID29274829
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(2S)-N-[(4-ethylphenyl)methyl]-4-(furan-2-yl)butan-2-amine
SMILESCCc1ccc(CN[C@@H](C)CCc2ccco2)cc1
InChIInChI=1S/C17H23NO/c1-3-15-7-9-16(10-8-15)13-18-14(2)6-11-17-5-4-12-19-17/h4-5,7-10,12,14,18H,3,6,11,13H2,1-2H3/t14-/m0/s1
InChIKeyNDTICWHPRHEGNZ-AWEZNQCLSA-N
XLogP3.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-[(4-ethylphenyl)methyl]-4-(furan-2-yl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-ethylphenyl)methyl]-4-(furan-2-yl)butan-2-amine?
The IUPAC name of (2S)-N-[(4-ethylphenyl)methyl]-4-(furan-2-yl)butan-2-amine (CID 29274829) is (2S)-N-[(4-ethylphenyl)methyl]-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for (2S)-N-[(4-ethylphenyl)methyl]-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for (2S)-N-[(4-ethylphenyl)methyl]-4-(furan-2-yl)butan-2-amine is CCc1ccc(CN[C@@H](C)CCc2ccco2)cc1.
What is the InChIKey of (2S)-N-[(4-ethylphenyl)methyl]-4-(furan-2-yl)butan-2-amine?
The InChIKey is NDTICWHPRHEGNZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-15-7-9-16(10-8-15)13-18-14(2)6-11-17-5-4-12-19-17/h4-5,7-10,12,14,18H,3,6,11,13H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-N-[(4-ethylphenyl)methyl]-4-(furan-2-yl)butan-2-amine?
(2S)-N-[(4-ethylphenyl)methyl]-4-(furan-2-yl)butan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-ethylphenyl)methyl]-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 29274829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).