2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-phenylpropan-1-ol

C18H21NO2 — CID 66363184

IUPAC2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)NCC1Cc2ccccc2O1
InChIInChI=1S/C18H21NO2/c20-13-16(10-14-6-2-1-3-7-14)19-12-17-11-15-8-4-5-9-18(15)21-17/h1-9,16-17,19-20H,10-13H2
InChIKeyNOHUFQSHLPUCNN-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.18
Rot. Bonds6

About 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-phenylpropan-1-ol

2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-phenylpropan-1-ol (PubChem CID 66363184) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-phenylpropan-1-ol
PubChem CID66363184
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)NCC1Cc2ccccc2O1
InChIInChI=1S/C18H21NO2/c20-13-16(10-14-6-2-1-3-7-14)19-12-17-11-15-8-4-5-9-18(15)21-17/h1-9,16-17,19-20H,10-13H2
InChIKeyNOHUFQSHLPUCNN-UHFFFAOYSA-N
XLogP2.18
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol
CID 116521447
(2S)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 167825475
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methoxybutan-1-ol
CID 106159943
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine
CID 104867584
(2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol
CID 102610116
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
(2S)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol
CID 102610105
5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid
CID 62233383
4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)butan-2-amine
CID 83186640

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-phenylpropan-1-ol?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-phenylpropan-1-ol (CID 66363184) is 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-phenylpropan-1-ol?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-phenylpropan-1-ol is OCC(Cc1ccccc1)NCC1Cc2ccccc2O1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-phenylpropan-1-ol?
The InChIKey is NOHUFQSHLPUCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-13-16(10-14-6-2-1-3-7-14)19-12-17-11-15-8-4-5-9-18(15)21-17/h1-9,16-17,19-20H,10-13H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-phenylpropan-1-ol?
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-phenylpropan-1-ol has a molecular weight of 283.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-phenylpropan-1-ol is sourced from PubChem (CID 66363184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).