4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]propyl]phenol

C15H19NO2 — CID 115494501

IUPAC4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N[C@@H](C)c1ccco1
InChIInChI=1S/C15H19NO2/c1-11(10-13-5-7-14(17)8-6-13)16-12(2)15-4-3-9-18-15/h3-9,11-12,16-17H,10H2,1-2H3/t11?,12-/m0/s1
InChIKeyTVHYVSDRUCSORJ-KIYNQFGBSA-N
MW245.32 g/mol
LogP3.27
Rot. Bonds5

About 4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]propyl]phenol

4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]propyl]phenol (PubChem CID 115494501) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]propyl]phenol
PubChem CID115494501
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N[C@@H](C)c1ccco1
InChIInChI=1S/C15H19NO2/c1-11(10-13-5-7-14(17)8-6-13)16-12(2)15-4-3-9-18-15/h3-9,11-12,16-17H,10H2,1-2H3/t11?,12-/m0/s1
InChIKeyTVHYVSDRUCSORJ-KIYNQFGBSA-N
XLogP3.27
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 104979819
N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 54864150
N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
CID 81402655
4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 115494469
4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol
CID 115494470
4-[2-(4-phenylbutan-2-ylamino)propyl]phenol
CID 79692143
3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81400905
(2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 97070512
(2R)-2-[1-(furan-2-yl)ethylamino]butan-1-ol
CID 103922442
5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol
CID 107706935
4-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol
CID 81403637
N-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 43776737

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]propyl]phenol?
The IUPAC name of 4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]propyl]phenol (CID 115494501) is 4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]propyl]phenol.
What is the SMILES notation for 4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]propyl]phenol?
The canonical SMILES for 4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]propyl]phenol is CC(Cc1ccc(O)cc1)N[C@@H](C)c1ccco1.
What is the InChIKey of 4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]propyl]phenol?
The InChIKey is TVHYVSDRUCSORJ-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11(10-13-5-7-14(17)8-6-13)16-12(2)15-4-3-9-18-15/h3-9,11-12,16-17H,10H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of 4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]propyl]phenol?
4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]propyl]phenol has a molecular weight of 245.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]propyl]phenol is sourced from PubChem (CID 115494501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).