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

C14H21NO — CID 115894712

IUPAC2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)CNC(C)C2CC2)c1
InChIInChI=1S/C14H21NO/c1-10-4-3-5-13(8-10)14(16)9-15-11(2)12-6-7-12/h3-5,8,11-12,14-16H,6-7,9H2,1-2H3
InChIKeyHWRZBGHNWNDWNI-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.42
Rot. Bonds5

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

2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol (PubChem CID 115894712) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol
PubChem CID115894712
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)CNC(C)C2CC2)c1
InChIInChI=1S/C14H21NO/c1-10-4-3-5-13(8-10)14(16)9-15-11(2)12-6-7-12/h3-5,8,11-12,14-16H,6-7,9H2,1-2H3
InChIKeyHWRZBGHNWNDWNI-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 111755622
2-[[(1R)-1-cyclopentylethyl]amino]-1-(3-fluorophenyl)ethanol
CID 81396373
1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol
CID 81393437
1-(3-methylphenyl)-2-[1-(oxan-4-yl)propan-2-ylamino]ethanol
CID 75515421
2-(cyclopropylamino)-1-(3-methylphenyl)ethanol
CID 62774704
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513
1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol
CID 60909738
2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol
CID 81390203
2-[1-(furan-2-yl)ethylamino]-1-(3-methylphenyl)ethanol
CID 84595635
2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81396113
2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol
CID 113260051
(4-tert-butylcyclohexyl)-(3-methylphenyl)methanol
CID 65400122

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol?
The IUPAC name of 2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol (CID 115894712) is 2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol?
The canonical SMILES for 2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol is Cc1cccc(C(O)CNC(C)C2CC2)c1.
What is the InChIKey of 2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol?
The InChIKey is HWRZBGHNWNDWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-4-3-5-13(8-10)14(16)9-15-11(2)12-6-7-12/h3-5,8,11-12,14-16H,6-7,9H2,1-2H3.
What are the key properties of 2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol?
2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol has a molecular weight of 219.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 115894712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).