(2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol

C12H17NO2 — CID 93297893

IUPAC(2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol
SMILESC[C@@H](CO)NCc1ccc2c(c1)CCO2
InChIInChI=1S/C12H17NO2/c1-9(8-14)13-7-10-2-3-12-11(6-10)4-5-15-12/h2-3,6,9,13-14H,4-5,7-8H2,1H3/t9-/m0/s1
InChIKeyZPBWOKDMTZENQZ-VIFPVBQESA-N
MW207.27 g/mol
LogP1.09
Rot. Bonds4

About (2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol

(2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol (PubChem CID 93297893) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol
PubChem CID93297893
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol
SMILESC[C@@H](CO)NCc1ccc2c(c1)CCO2
InChIInChI=1S/C12H17NO2/c1-9(8-14)13-7-10-2-3-12-11(6-10)4-5-15-12/h2-3,6,9,13-14H,4-5,7-8H2,1H3/t9-/m0/s1
InChIKeyZPBWOKDMTZENQZ-VIFPVBQESA-N
XLogP1.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-phenylpropan-1-ol
CID 104922890
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(furan-2-yl)butan-2-amine
CID 43804177
1-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
CID 43804303
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-pyridin-2-ylethanamine
CID 78978115
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-thiophen-2-ylethanamine
CID 81398895
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 61473085
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904175
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pentan-2-ol
CID 113376192
1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
CID 43804139
3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-5-methylhexan-1-ol
CID 111498606
2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 60930882
2-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)acetic acid
CID 65059771

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol?
The IUPAC name of (2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol (CID 93297893) is (2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol.
What is the SMILES notation for (2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol?
The canonical SMILES for (2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol is C[C@@H](CO)NCc1ccc2c(c1)CCO2.
What is the InChIKey of (2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol?
The InChIKey is ZPBWOKDMTZENQZ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(8-14)13-7-10-2-3-12-11(6-10)4-5-15-12/h2-3,6,9,13-14H,4-5,7-8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol?
(2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol has a molecular weight of 207.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol is sourced from PubChem (CID 93297893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).