(2S)-2-(furan-3-ylmethylamino)propan-1-ol

C8H13NO2 — CID 103773853

IUPAC(2S)-2-(furan-3-ylmethylamino)propan-1-ol
SMILESC[C@@H](CO)NCc1ccoc1
InChIInChI=1S/C8H13NO2/c1-7(5-10)9-4-8-2-3-11-6-8/h2-3,6-7,9-10H,4-5H2,1H3/t7-/m0/s1
InChIKeyAZPSVAMQUZEAKY-ZETCQYMHSA-N
MW155.20 g/mol
LogP0.75
Rot. Bonds4

About (2S)-2-(furan-3-ylmethylamino)propan-1-ol

(2S)-2-(furan-3-ylmethylamino)propan-1-ol (PubChem CID 103773853) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (2S)-2-(furan-3-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(furan-3-ylmethylamino)propan-1-ol
PubChem CID103773853
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(2S)-2-(furan-3-ylmethylamino)propan-1-ol
SMILESC[C@@H](CO)NCc1ccoc1
InChIInChI=1S/C8H13NO2/c1-7(5-10)9-4-8-2-3-11-6-8/h2-3,6-7,9-10H,4-5H2,1H3/t7-/m0/s1
InChIKeyAZPSVAMQUZEAKY-ZETCQYMHSA-N
XLogP0.75
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-3-ylmethyl)-5-methylhexan-2-amine
CID 62997685
1-ethoxy-N-(furan-3-ylmethyl)propan-2-amine
CID 63204415
3-(furan-3-ylmethylamino)-N,N-dimethylbutanamide
CID 115711461
N-(furan-3-ylmethyl)-2-methylpentan-3-amine
CID 63000846
N-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine
CID 115711421
1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine
CID 63000728
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
N-(furan-3-ylmethyl)-1-phenylethanamine
CID 42773967
1-(4-tert-butylphenyl)-N-(furan-3-ylmethyl)ethanamine
CID 55180294
4-[(1-hydroxypropan-2-ylamino)methyl]phenol
CID 43499774
N-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine
CID 115711448
(2S)-3-(furan-3-ylmethylamino)propane-1,2-diol
CID 104874092

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-3-ylmethylamino)propan-1-ol?
The IUPAC name of (2S)-2-(furan-3-ylmethylamino)propan-1-ol (CID 103773853) is (2S)-2-(furan-3-ylmethylamino)propan-1-ol.
What is the SMILES notation for (2S)-2-(furan-3-ylmethylamino)propan-1-ol?
The canonical SMILES for (2S)-2-(furan-3-ylmethylamino)propan-1-ol is C[C@@H](CO)NCc1ccoc1.
What is the InChIKey of (2S)-2-(furan-3-ylmethylamino)propan-1-ol?
The InChIKey is AZPSVAMQUZEAKY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7(5-10)9-4-8-2-3-11-6-8/h2-3,6-7,9-10H,4-5H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-(furan-3-ylmethylamino)propan-1-ol?
(2S)-2-(furan-3-ylmethylamino)propan-1-ol has a molecular weight of 155.20 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-3-ylmethylamino)propan-1-ol is sourced from PubChem (CID 103773853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).