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

C15H16ClNO — CID 82254492

IUPAC3-amino-1-(2-chlorophenyl)-1-phenylpropan-1-ol
SMILESNCCC(O)(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H16ClNO/c16-14-9-5-4-8-13(14)15(18,10-11-17)12-6-2-1-3-7-12/h1-9,18H,10-11,17H2
InChIKeyRFCSOSSACJNSDT-UHFFFAOYSA-N
MW261.75 g/mol
LogP2.92
Rot. Bonds4

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

3-amino-1-(2-chlorophenyl)-1-phenylpropan-1-ol (PubChem CID 82254492) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 3-amino-1-(2-chlorophenyl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-chlorophenyl)-1-phenylpropan-1-ol
PubChem CID82254492
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name3-amino-1-(2-chlorophenyl)-1-phenylpropan-1-ol
SMILESNCCC(O)(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H16ClNO/c16-14-9-5-4-8-13(14)15(18,10-11-17)12-6-2-1-3-7-12/h1-9,18H,10-11,17H2
InChIKeyRFCSOSSACJNSDT-UHFFFAOYSA-N
XLogP2.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-chlorophenyl)-1-phenylpropan-1-ol?
The IUPAC name of 3-amino-1-(2-chlorophenyl)-1-phenylpropan-1-ol (CID 82254492) is 3-amino-1-(2-chlorophenyl)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(2-chlorophenyl)-1-phenylpropan-1-ol?
The canonical SMILES for 3-amino-1-(2-chlorophenyl)-1-phenylpropan-1-ol is NCCC(O)(c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 3-amino-1-(2-chlorophenyl)-1-phenylpropan-1-ol?
The InChIKey is RFCSOSSACJNSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c16-14-9-5-4-8-13(14)15(18,10-11-17)12-6-2-1-3-7-12/h1-9,18H,10-11,17H2.
What are the key properties of 3-amino-1-(2-chlorophenyl)-1-phenylpropan-1-ol?
3-amino-1-(2-chlorophenyl)-1-phenylpropan-1-ol has a molecular weight of 261.75 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-chlorophenyl)-1-phenylpropan-1-ol is sourced from PubChem (CID 82254492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).