2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol

C14H24ClNO2 — CID 174971213

IUPAC2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol
SMILESCC(C)(C)NCC(O)c1ccccc1Cl.CCO
InChIInChI=1S/C12H18ClNO.C2H6O/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13;1-2-3/h4-7,11,14-15H,8H2,1-3H3;3H,2H2,1H3
InChIKeyNKBAIVAZQLUXBU-UHFFFAOYSA-N
MW273.80 g/mol
LogP2.76
Rot. Bonds3

About 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol

2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol (PubChem CID 174971213) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol
PubChem CID174971213
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC Name2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol
SMILESCC(C)(C)NCC(O)c1ccccc1Cl.CCO
InChIInChI=1S/C12H18ClNO.C2H6O/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13;1-2-3/h4-7,11,14-15H,8H2,1-3H3;3H,2H2,1H3
InChIKeyNKBAIVAZQLUXBU-UHFFFAOYSA-N
XLogP2.76
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
CID 45357807
1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol
CID 113253717
1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol
CID 65106313
1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine
CID 79446177
4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutan-1-ol
CID 106146601
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628144
2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]pentan-1-ol
CID 113495705
1-(tert-butylamino)-3-[1-(2-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 115475273

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol?
The IUPAC name of 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol (CID 174971213) is 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol is CC(C)(C)NCC(O)c1ccccc1Cl.CCO.
What is the InChIKey of 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol?
The InChIKey is NKBAIVAZQLUXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO.C2H6O/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13;1-2-3/h4-7,11,14-15H,8H2,1-3H3;3H,2H2,1H3.
What are the key properties of 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol?
2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol has a molecular weight of 273.80 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol is sourced from PubChem (CID 174971213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).