2-[(4-chlorophenyl)methylamino]-1-phenylpropan-1-ol

C16H18ClNO — CID 2997423

IUPAC2-[(4-chlorophenyl)methylamino]-1-phenylpropan-1-ol
SMILESCC(NCc1ccc(Cl)cc1)C(O)c1ccccc1
InChIInChI=1S/C16H18ClNO/c1-12(16(19)14-5-3-2-4-6-14)18-11-13-7-9-15(17)10-8-13/h2-10,12,16,18-19H,11H2,1H3
InChIKeyIIIZQVIHVSROJK-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.55
Rot. Bonds5

About 2-[(4-chlorophenyl)methylamino]-1-phenylpropan-1-ol

2-[(4-chlorophenyl)methylamino]-1-phenylpropan-1-ol (PubChem CID 2997423) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-1-phenylpropan-1-ol
PubChem CID2997423
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-[(4-chlorophenyl)methylamino]-1-phenylpropan-1-ol
SMILESCC(NCc1ccc(Cl)cc1)C(O)c1ccccc1
InChIInChI=1S/C16H18ClNO/c1-12(16(19)14-5-3-2-4-6-14)18-11-13-7-9-15(17)10-8-13/h2-10,12,16,18-19H,11H2,1H3
InChIKeyIIIZQVIHVSROJK-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-1-phenylpropan-1-ol?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-1-phenylpropan-1-ol (CID 2997423) is 2-[(4-chlorophenyl)methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-1-phenylpropan-1-ol is CC(NCc1ccc(Cl)cc1)C(O)c1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-1-phenylpropan-1-ol?
The InChIKey is IIIZQVIHVSROJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12(16(19)14-5-3-2-4-6-14)18-11-13-7-9-15(17)10-8-13/h2-10,12,16,18-19H,11H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methylamino]-1-phenylpropan-1-ol?
2-[(4-chlorophenyl)methylamino]-1-phenylpropan-1-ol has a molecular weight of 275.78 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 2997423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).