2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol

C13H19NO — CID 45096959

IUPAC2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(O)CNC2CC2)c(C)c1
InChIInChI=1S/C13H19NO/c1-9-3-6-12(10(2)7-9)13(15)8-14-11-4-5-11/h3,6-7,11,13-15H,4-5,8H2,1-2H3
InChIKeyOSCZPRJKLFCETI-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.09
Rot. Bonds4

About 2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol

2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol (PubChem CID 45096959) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol
PubChem CID45096959
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(O)CNC2CC2)c(C)c1
InChIInChI=1S/C13H19NO/c1-9-3-6-12(10(2)7-9)13(15)8-14-11-4-5-11/h3,6-7,11,13-15H,4-5,8H2,1-2H3
InChIKeyOSCZPRJKLFCETI-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylamino)-1-(3-methylphenyl)ethanol
CID 62774704
1-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)ethanol
CID 82313394
cycloheptyl-(2,4-dimethylphenyl)methanol
CID 55199424
N-[2-(2,4-dimethylphenyl)sulfanylpropyl]cyclopropanamine
CID 62583351
2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol
CID 60910310
1-(2-methoxy-5-methylphenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 114545638
2-(cyclohexylamino)-1-(2-methoxy-3,5-dimethylphenyl)ethanol
CID 82315590
1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(cyclopropylamino)ethanol
CID 112512972
2-[(3-methylcyclopentyl)amino]-1-(2-methylphenyl)ethanol
CID 111466776
1-(cyclopropylamino)-3-(2,5-dimethylphenyl)sulfanylpropan-2-ol
CID 43166408
2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
CID 137346924
(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
CID 39350104

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol?
The IUPAC name of 2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol (CID 45096959) is 2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol?
The canonical SMILES for 2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol is Cc1ccc(C(O)CNC2CC2)c(C)c1.
What is the InChIKey of 2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol?
The InChIKey is OSCZPRJKLFCETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-3-6-12(10(2)7-9)13(15)8-14-11-4-5-11/h3,6-7,11,13-15H,4-5,8H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol?
2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol has a molecular weight of 205.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol is sourced from PubChem (CID 45096959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).