(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol

C11H16ClNO — CID 42553219

IUPAC(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NC[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-8(2)13-7-11(14)9-3-5-10(12)6-4-9/h3-6,8,11,13-14H,7H2,1-2H3/t11-/m1/s1
InChIKeyODPACOSFGOJIQY-LLVKDONJSA-N
MW213.71 g/mol
LogP2.37
Rot. Bonds4

About (1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol

(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol (PubChem CID 42553219) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
PubChem CID42553219
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NC[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-8(2)13-7-11(14)9-3-5-10(12)6-4-9/h3-6,8,11,13-14H,7H2,1-2H3/t11-/m1/s1
InChIKeyODPACOSFGOJIQY-LLVKDONJSA-N
XLogP2.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
CID 76959355
4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 113376212
1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 54949960
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714730
1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol
CID 60909738
1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 60903668
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol
CID 81356620
1-(4-chlorophenyl)-2-[(1-methoxy-3-methylbutan-2-yl)amino]ethanol
CID 65048817
1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)ethanol
CID 112514138
1-(4-methylsulfanylphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 172687995

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of (1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol (CID 42553219) is (1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol is CC(C)NC[C@@H](O)c1ccc(Cl)cc1.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol?
The InChIKey is ODPACOSFGOJIQY-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-8(2)13-7-11(14)9-3-5-10(12)6-4-9/h3-6,8,11,13-14H,7H2,1-2H3/t11-/m1/s1.
What are the key properties of (1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol?
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol has a molecular weight of 213.71 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 42553219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).