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

C18H25NO — CID 29298698

IUPAC(2S)-4-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
SMILESCC(C)c1ccc(CN[C@@H](C)CCc2ccco2)cc1
InChIInChI=1S/C18H25NO/c1-14(2)17-9-7-16(8-10-17)13-19-15(3)6-11-18-5-4-12-20-18/h4-5,7-10,12,14-15,19H,6,11,13H2,1-3H3/t15-/m0/s1
InChIKeyTYEPMBZLZOQSSO-HNNXBMFYSA-N
MW271.40 g/mol
LogP4.51
Rot. Bonds7

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

(2S)-4-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine (PubChem CID 29298698) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (2S)-4-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name(2S)-4-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
PubChem CID29298698
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(2S)-4-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
SMILESCC(C)c1ccc(CN[C@@H](C)CCc2ccco2)cc1
InChIInChI=1S/C18H25NO/c1-14(2)17-9-7-16(8-10-17)13-19-15(3)6-11-18-5-4-12-20-18/h4-5,7-10,12,14-15,19H,6,11,13H2,1-3H3/t15-/m0/s1
InChIKeyTYEPMBZLZOQSSO-HNNXBMFYSA-N
XLogP4.51
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine?
The IUPAC name of (2S)-4-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine (CID 29298698) is (2S)-4-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine.
What is the SMILES notation for (2S)-4-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine?
The canonical SMILES for (2S)-4-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine is CC(C)c1ccc(CN[C@@H](C)CCc2ccco2)cc1.
What is the InChIKey of (2S)-4-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine?
The InChIKey is TYEPMBZLZOQSSO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25NO/c1-14(2)17-9-7-16(8-10-17)13-19-15(3)6-11-18-5-4-12-20-18/h4-5,7-10,12,14-15,19H,6,11,13H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-4-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine?
(2S)-4-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine has a molecular weight of 271.40 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine is sourced from PubChem (CID 29298698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).