N-[(1S)-1-(furan-2-yl)-2-phenylethyl]propan-2-amine

C15H19NO — CID 125485917

IUPACN-[(1S)-1-(furan-2-yl)-2-phenylethyl]propan-2-amine
SMILESCC(C)N[C@@H](Cc1ccccc1)c1ccco1
InChIInChI=1S/C15H19NO/c1-12(2)16-14(15-9-6-10-17-15)11-13-7-4-3-5-8-13/h3-10,12,14,16H,11H2,1-2H3/t14-/m0/s1
InChIKeyMCMVHPOMULLPKQ-AWEZNQCLSA-N
MW229.32 g/mol
LogP3.56
Rot. Bonds5

About N-[(1S)-1-(furan-2-yl)-2-phenylethyl]propan-2-amine

N-[(1S)-1-(furan-2-yl)-2-phenylethyl]propan-2-amine (PubChem CID 125485917) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)-2-phenylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)-2-phenylethyl]propan-2-amine
PubChem CID125485917
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-[(1S)-1-(furan-2-yl)-2-phenylethyl]propan-2-amine
SMILESCC(C)N[C@@H](Cc1ccccc1)c1ccco1
InChIInChI=1S/C15H19NO/c1-12(2)16-14(15-9-6-10-17-15)11-13-7-4-3-5-8-13/h3-10,12,14,16H,11H2,1-2H3/t14-/m0/s1
InChIKeyMCMVHPOMULLPKQ-AWEZNQCLSA-N
XLogP3.56
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(furan-2-yl)-2-phenylethyl]cyclopropanamine
CID 125485850
2-(1-chloro-2-phenylethyl)furan
CID 63016846
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-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]propan-2-amine
CID 123160214
1-(furan-2-yl)-N-phenylmethoxypropan-1-amine
CID 82709043
1-(furan-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62389574
N-ethyl-3-(furan-2-yl)-4-phenylbutan-1-amine
CID 5149078
1-(furan-2-yl)-N-methyl-2-pyridin-3-ylethanamine
CID 63949985
N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 61335195
[1-(furan-2-yl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105213543
(1R)-1-(furan-2-yl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine
CID 2430998

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)-2-phenylethyl]propan-2-amine?
The IUPAC name of N-[(1S)-1-(furan-2-yl)-2-phenylethyl]propan-2-amine (CID 125485917) is N-[(1S)-1-(furan-2-yl)-2-phenylethyl]propan-2-amine.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)-2-phenylethyl]propan-2-amine?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)-2-phenylethyl]propan-2-amine is CC(C)N[C@@H](Cc1ccccc1)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)-2-phenylethyl]propan-2-amine?
The InChIKey is MCMVHPOMULLPKQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19NO/c1-12(2)16-14(15-9-6-10-17-15)11-13-7-4-3-5-8-13/h3-10,12,14,16H,11H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)-2-phenylethyl]propan-2-amine?
N-[(1S)-1-(furan-2-yl)-2-phenylethyl]propan-2-amine has a molecular weight of 229.32 g/mol, XLogP of 3.56, 5 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)-2-phenylethyl]propan-2-amine is sourced from PubChem (CID 125485917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).