1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol

C16H18ClNO — CID 78953095

IUPAC1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
SMILESC[C@@H](NCC(O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H18ClNO/c1-12(13-5-3-2-4-6-13)18-11-16(19)14-7-9-15(17)10-8-14/h2-10,12,16,18-19H,11H2,1H3/t12-,16?/m1/s1
InChIKeyFGUCQWOXCWJSKZ-ZGTOLYCTSA-N
MW275.78 g/mol
LogP3.72
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol

1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol (PubChem CID 78953095) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
PubChem CID78953095
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
SMILESC[C@@H](NCC(O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H18ClNO/c1-12(13-5-3-2-4-6-13)18-11-16(19)14-7-9-15(17)10-8-14/h2-10,12,16,18-19H,11H2,1H3/t12-,16?/m1/s1
InChIKeyFGUCQWOXCWJSKZ-ZGTOLYCTSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 43388825
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714730
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832
1-(4-chlorophenyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
CID 81360889
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol
CID 81356620
1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol
CID 81354599
1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol
CID 62304367
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanol
CID 60766376
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol
CID 93032010

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol (CID 78953095) is 1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol is C[C@@H](NCC(O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol?
The InChIKey is FGUCQWOXCWJSKZ-ZGTOLYCTSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12(13-5-3-2-4-6-13)18-11-16(19)14-7-9-15(17)10-8-14/h2-10,12,16,18-19H,11H2,1H3/t12-,16?/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol?
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol has a molecular weight of 275.78 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol is sourced from PubChem (CID 78953095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).