2-(cyclopropylamino)-1-(3-methylphenyl)ethanol

C12H17NO — CID 62774704

IUPAC2-(cyclopropylamino)-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)CNC2CC2)c1
InChIInChI=1S/C12H17NO/c1-9-3-2-4-10(7-9)12(14)8-13-11-5-6-11/h2-4,7,11-14H,5-6,8H2,1H3
InChIKeySJRRCTSXHGAHMX-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.78
Rot. Bonds4

About 2-(cyclopropylamino)-1-(3-methylphenyl)ethanol

2-(cyclopropylamino)-1-(3-methylphenyl)ethanol (PubChem CID 62774704) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(3-methylphenyl)ethanol
PubChem CID62774704
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(cyclopropylamino)-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)CNC2CC2)c1
InChIInChI=1S/C12H17NO/c1-9-3-2-4-10(7-9)12(14)8-13-11-5-6-11/h2-4,7,11-14H,5-6,8H2,1H3
InChIKeySJRRCTSXHGAHMX-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-(3-methylphenyl)ethanol
CID 99702923
2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol
CID 115894712
2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol
CID 45096959
2-(cycloheptylamino)-1-[3-(dimethylamino)phenyl]ethanol
CID 70463295
N-[2-(2,2-difluoroethoxy)-2-(3-methylphenyl)ethyl]cyclopropanamine
CID 82006736
1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 115652821
(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
CID 39350104
1-(3-methylphenyl)-2-(propylamino)ethanol
CID 62774312
(1S)-1-(3-methylphenyl)-2-[[(5R)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl]amino]ethanol
CID 99837847
N-[3-(cyclopropylmethoxy)-2-(3-methylphenyl)propyl]cyclopropanamine
CID 106930859
2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 110922419
N-[2-hydroxy-2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
CID 110012074

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(3-methylphenyl)ethanol?
The IUPAC name of 2-(cyclopropylamino)-1-(3-methylphenyl)ethanol (CID 62774704) is 2-(cyclopropylamino)-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-(cyclopropylamino)-1-(3-methylphenyl)ethanol?
The canonical SMILES for 2-(cyclopropylamino)-1-(3-methylphenyl)ethanol is Cc1cccc(C(O)CNC2CC2)c1.
What is the InChIKey of 2-(cyclopropylamino)-1-(3-methylphenyl)ethanol?
The InChIKey is SJRRCTSXHGAHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-3-2-4-10(7-9)12(14)8-13-11-5-6-11/h2-4,7,11-14H,5-6,8H2,1H3.
What are the key properties of 2-(cyclopropylamino)-1-(3-methylphenyl)ethanol?
2-(cyclopropylamino)-1-(3-methylphenyl)ethanol has a molecular weight of 191.27 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 62774704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).