1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol

C16H18ClNO — CID 12549128

IUPAC1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol
SMILESCNCC(O)C(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H18ClNO/c1-18-11-15(19)16(12-7-3-2-4-8-12)13-9-5-6-10-14(13)17/h2-10,15-16,18-19H,11H2,1H3
InChIKeyZNVAWLWXHSOSEN-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.05
Rot. Bonds5

About 1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol

1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol (PubChem CID 12549128) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol
PubChem CID12549128
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol
SMILESCNCC(O)C(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H18ClNO/c1-18-11-15(19)16(12-7-3-2-4-8-12)13-9-5-6-10-14(13)17/h2-10,15-16,18-19H,11H2,1H3
InChIKeyZNVAWLWXHSOSEN-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol?
The IUPAC name of 1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol (CID 12549128) is 1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol?
The canonical SMILES for 1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol is CNCC(O)C(c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol?
The InChIKey is ZNVAWLWXHSOSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-18-11-15(19)16(12-7-3-2-4-8-12)13-9-5-6-10-14(13)17/h2-10,15-16,18-19H,11H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol?
1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol has a molecular weight of 275.78 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(methylamino)-1-phenylpropan-2-ol is sourced from PubChem (CID 12549128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).