3-amino-2-(3-chlorophenyl)-1-(2-methylfuran-3-yl)propan-1-ol

C14H16ClNO2 — CID 65186084

IUPAC3-amino-2-(3-chlorophenyl)-1-(2-methylfuran-3-yl)propan-1-ol
SMILESCc1occc1C(O)C(CN)c1cccc(Cl)c1
InChIInChI=1S/C14H16ClNO2/c1-9-12(5-6-18-9)14(17)13(8-16)10-3-2-4-11(15)7-10/h2-7,13-14,17H,8,16H2,1H3
InChIKeyDJNHPKYOFNECBT-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.02
Rot. Bonds4

About 3-amino-2-(3-chlorophenyl)-1-(2-methylfuran-3-yl)propan-1-ol

3-amino-2-(3-chlorophenyl)-1-(2-methylfuran-3-yl)propan-1-ol (PubChem CID 65186084) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 3-amino-2-(3-chlorophenyl)-1-(2-methylfuran-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-chlorophenyl)-1-(2-methylfuran-3-yl)propan-1-ol
PubChem CID65186084
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name3-amino-2-(3-chlorophenyl)-1-(2-methylfuran-3-yl)propan-1-ol
SMILESCc1occc1C(O)C(CN)c1cccc(Cl)c1
InChIInChI=1S/C14H16ClNO2/c1-9-12(5-6-18-9)14(17)13(8-16)10-3-2-4-11(15)7-10/h2-7,13-14,17H,8,16H2,1H3
InChIKeyDJNHPKYOFNECBT-UHFFFAOYSA-N
XLogP3.02
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 65189896
3-amino-2-(3-chlorophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65186089
3-amino-2-(3-chlorophenyl)-1-(2-ethoxyphenyl)propan-1-ol
CID 65186329
3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186666
3-amino-1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)propan-1-ol
CID 65186614
3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol
CID 65186275
3-amino-1-(3-chloro-4-methylthiophen-2-yl)-2-(3-chlorophenyl)propan-1-ol
CID 103406591
3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 65186071
3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 107994915
2-(3-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107780038
3-amino-1-(2-bromo-5-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186180
3-amino-2-(3-chlorophenyl)-1-(3-methoxy-4-methylphenyl)propan-1-ol
CID 65186281

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-chlorophenyl)-1-(2-methylfuran-3-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(3-chlorophenyl)-1-(2-methylfuran-3-yl)propan-1-ol (CID 65186084) is 3-amino-2-(3-chlorophenyl)-1-(2-methylfuran-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3-chlorophenyl)-1-(2-methylfuran-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3-chlorophenyl)-1-(2-methylfuran-3-yl)propan-1-ol is Cc1occc1C(O)C(CN)c1cccc(Cl)c1.
What is the InChIKey of 3-amino-2-(3-chlorophenyl)-1-(2-methylfuran-3-yl)propan-1-ol?
The InChIKey is DJNHPKYOFNECBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-9-12(5-6-18-9)14(17)13(8-16)10-3-2-4-11(15)7-10/h2-7,13-14,17H,8,16H2,1H3.
What are the key properties of 3-amino-2-(3-chlorophenyl)-1-(2-methylfuran-3-yl)propan-1-ol?
3-amino-2-(3-chlorophenyl)-1-(2-methylfuran-3-yl)propan-1-ol has a molecular weight of 265.74 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-chlorophenyl)-1-(2-methylfuran-3-yl)propan-1-ol is sourced from PubChem (CID 65186084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).