2-(2-chlorophenyl)-2-(2-methylpropylamino)ethanol

C12H18ClNO — CID 61054751

IUPAC2-(2-chlorophenyl)-2-(2-methylpropylamino)ethanol
SMILESCC(C)CNC(CO)c1ccccc1Cl
InChIInChI=1S/C12H18ClNO/c1-9(2)7-14-12(8-15)10-5-3-4-6-11(10)13/h3-6,9,12,14-15H,7-8H2,1-2H3
InChIKeyGFMYRMOUTFVPOS-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.62
Rot. Bonds5

About 2-(2-chlorophenyl)-2-(2-methylpropylamino)ethanol

2-(2-chlorophenyl)-2-(2-methylpropylamino)ethanol (PubChem CID 61054751) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(2-methylpropylamino)ethanol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(2-methylpropylamino)ethanol
PubChem CID61054751
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-(2-chlorophenyl)-2-(2-methylpropylamino)ethanol
SMILESCC(C)CNC(CO)c1ccccc1Cl
InChIInChI=1S/C12H18ClNO/c1-9(2)7-14-12(8-15)10-5-3-4-6-11(10)13/h3-6,9,12,14-15H,7-8H2,1-2H3
InChIKeyGFMYRMOUTFVPOS-UHFFFAOYSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 114488494
2-(2-ethylphenyl)-2-(2-methylpropylamino)ethanol
CID 62415875
2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 61054951
2-(2,3-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 63667429
(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 76957004
1-(2-chlorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912678
(2R)-1-[1-(2-chlorophenyl)ethylamino]propan-2-ol
CID 103906814
1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384
2-[1-(2-chlorophenyl)ethylamino]-3-methylbutan-1-ol
CID 79253658
2-(4-bromoanilino)-2-(2-chlorophenyl)ethanol
CID 61048256
2-(2,3-dichlorophenyl)-2-(propylamino)ethanol
CID 61054379
sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride
CID 173081164

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(2-methylpropylamino)ethanol?
The IUPAC name of 2-(2-chlorophenyl)-2-(2-methylpropylamino)ethanol (CID 61054751) is 2-(2-chlorophenyl)-2-(2-methylpropylamino)ethanol.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(2-methylpropylamino)ethanol?
The canonical SMILES for 2-(2-chlorophenyl)-2-(2-methylpropylamino)ethanol is CC(C)CNC(CO)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-(2-methylpropylamino)ethanol?
The InChIKey is GFMYRMOUTFVPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-9(2)7-14-12(8-15)10-5-3-4-6-11(10)13/h3-6,9,12,14-15H,7-8H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-2-(2-methylpropylamino)ethanol?
2-(2-chlorophenyl)-2-(2-methylpropylamino)ethanol has a molecular weight of 227.73 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(2-methylpropylamino)ethanol is sourced from PubChem (CID 61054751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).