1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol

C18H22ClNO2 — CID 2882810

IUPAC1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol
SMILESCC(NCC(O)COCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H22ClNO2/c1-14(16-5-3-2-4-6-16)20-11-18(21)13-22-12-15-7-9-17(19)10-8-15/h2-10,14,18,20-21H,11-13H2,1H3
InChIKeyMEFYHBGGTGOIRY-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.57
Rot. Bonds8

About 1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol

1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol (PubChem CID 2882810) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol
PubChem CID2882810
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol
SMILESCC(NCC(O)COCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H22ClNO2/c1-14(16-5-3-2-4-6-16)20-11-18(21)13-22-12-15-7-9-17(19)10-8-15/h2-10,14,18,20-21H,11-13H2,1H3
InChIKeyMEFYHBGGTGOIRY-UHFFFAOYSA-N
XLogP3.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol (CID 2882810) is 1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol is CC(NCC(O)COCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol?
The InChIKey is MEFYHBGGTGOIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2/c1-14(16-5-3-2-4-6-16)20-11-18(21)13-22-12-15-7-9-17(19)10-8-15/h2-10,14,18,20-21H,11-13H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol?
1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol has a molecular weight of 319.83 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol is sourced from PubChem (CID 2882810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).