1-(2-amino-4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol

C17H18ClNO2 — CID 65445879

IUPAC1-(2-amino-4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
SMILESNc1cc(Cl)ccc1C(O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C17H18ClNO2/c18-13-3-4-14(15(19)10-13)16(20)5-1-11-2-6-17-12(9-11)7-8-21-17/h2-4,6,9-10,16,20H,1,5,7-8,19H2
InChIKeyGEYLGBCZOULUMH-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.52
Rot. Bonds4

About 1-(2-amino-4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol

1-(2-amino-4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol (PubChem CID 65445879) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-(2-amino-4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-amino-4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
PubChem CID65445879
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name1-(2-amino-4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
SMILESNc1cc(Cl)ccc1C(O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C17H18ClNO2/c18-13-3-4-14(15(19)10-13)16(20)5-1-11-2-6-17-12(9-11)7-8-21-17/h2-4,6,9-10,16,20H,1,5,7-8,19H2
InChIKeyGEYLGBCZOULUMH-UHFFFAOYSA-N
XLogP3.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5-amino-1H-pyrazol-4-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 65445130
1-(2,5-dichlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864532
1-(3-chloro-4-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 105101170
1-(5-chloro-1,3-thiazol-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 107125040
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol
CID 65445470
3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol
CID 65446224
1-(5-bromofuran-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 65445840
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65447174
5-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentan-1-amine
CID 65300933
4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol
CID 65446454
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol
CID 105101130
1-(3,5-dibromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 107975539

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The IUPAC name of 1-(2-amino-4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol (CID 65445879) is 1-(2-amino-4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol.
What is the SMILES notation for 1-(2-amino-4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The canonical SMILES for 1-(2-amino-4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol is Nc1cc(Cl)ccc1C(O)CCc1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2-amino-4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The InChIKey is GEYLGBCZOULUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c18-13-3-4-14(15(19)10-13)16(20)5-1-11-2-6-17-12(9-11)7-8-21-17/h2-4,6,9-10,16,20H,1,5,7-8,19H2.
What are the key properties of 1-(2-amino-4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
1-(2-amino-4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol has a molecular weight of 303.79 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol is sourced from PubChem (CID 65445879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).