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

C17H18ClNO2 — CID 65186364

IUPAC3-amino-2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-ol
SMILESNCC(c1ccc(Cl)cc1)C(O)c1ccc2c(c1)COC2
InChIInChI=1S/C17H18ClNO2/c18-15-5-3-11(4-6-15)16(8-19)17(20)12-1-2-13-9-21-10-14(13)7-12/h1-7,16-17,20H,8-10,19H2
InChIKeyCVDZOAPKVFESQZ-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.15
Rot. Bonds4

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

3-amino-2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-ol (PubChem CID 65186364) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 3-amino-2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-ol
PubChem CID65186364
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name3-amino-2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-ol
SMILESNCC(c1ccc(Cl)cc1)C(O)c1ccc2c(c1)COC2
InChIInChI=1S/C17H18ClNO2/c18-15-5-3-11(4-6-15)16(8-19)17(20)12-1-2-13-9-21-10-14(13)7-12/h1-7,16-17,20H,8-10,19H2
InChIKeyCVDZOAPKVFESQZ-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 65186071
2-(aminomethyl)-1-(1,3-dihydro-2-benzofuran-5-yl)butan-1-ol
CID 65188279
3-amino-2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 65185993
2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 63021612
3-amino-1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)propan-1-ol
CID 81325141
3-amino-1-(3-bromo-5-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 107954971
3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65186212
(2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 107477204
2-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 115839714
3-amino-1-(3-chloro-4-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 82876687
(2-chlorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 63021648
2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 63019172

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-ol (CID 65186364) is 3-amino-2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-ol is NCC(c1ccc(Cl)cc1)C(O)c1ccc2c(c1)COC2.
What is the InChIKey of 3-amino-2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-ol?
The InChIKey is CVDZOAPKVFESQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c18-15-5-3-11(4-6-15)16(8-19)17(20)12-1-2-13-9-21-10-14(13)7-12/h1-7,16-17,20H,8-10,19H2.
What are the key properties of 3-amino-2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-ol?
3-amino-2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-ol has a molecular weight of 303.79 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-ol is sourced from PubChem (CID 65186364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).