1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol

C13H20ClNO — CID 60898219

IUPAC1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol
SMILESCCCC(C)NCC(O)c1ccccc1Cl
InChIInChI=1S/C13H20ClNO/c1-3-6-10(2)15-9-13(16)11-7-4-5-8-12(11)14/h4-5,7-8,10,13,15-16H,3,6,9H2,1-2H3
InChIKeyGUFKJVKKXABDHR-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.15
Rot. Bonds6

About 1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol

1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol (PubChem CID 60898219) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol
PubChem CID60898219
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol
SMILESCCCC(C)NCC(O)c1ccccc1Cl
InChIInChI=1S/C13H20ClNO/c1-3-6-10(2)15-9-13(16)11-7-4-5-8-12(11)14/h4-5,7-8,10,13,15-16H,3,6,9H2,1-2H3
InChIKeyGUFKJVKKXABDHR-UHFFFAOYSA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384
1-(2-chlorophenyl)-2-(hex-1-yn-3-ylamino)ethanol
CID 114161254
(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 76957004
1-(2-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 54950007
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]pentan-1-ol
CID 113495705
1-(2-chlorophenyl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanol
CID 81380433
(1R)-1-(2-chlorophenyl)-2-[1-(2-methylphenyl)propan-2-ylamino]ethanol
CID 70004278
1-(2-chlorophenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol
CID 61459886
sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride
CID 173081164
3-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]hexan-1-ol
CID 106115231
1-(2-chlorophenyl)hexan-1-ol
CID 62606389
tert-butyl 3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]butanoate
CID 110013393

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol (CID 60898219) is 1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol is CCCC(C)NCC(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol?
The InChIKey is GUFKJVKKXABDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-3-6-10(2)15-9-13(16)11-7-4-5-8-12(11)14/h4-5,7-8,10,13,15-16H,3,6,9H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol?
1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol has a molecular weight of 241.76 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol is sourced from PubChem (CID 60898219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).