1-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]ethanol

C14H22N2O — CID 81466936

IUPAC1-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]ethanol
SMILESCC(O)c1ccccc1NC1CC(C)N(C)C1
InChIInChI=1S/C14H22N2O/c1-10-8-12(9-16(10)3)15-14-7-5-4-6-13(14)11(2)17/h4-7,10-12,15,17H,8-9H2,1-3H3
InChIKeyIJLNIXIXRBSAIU-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.24
Rot. Bonds3

About 1-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]ethanol

1-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]ethanol (PubChem CID 81466936) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]ethanol
PubChem CID81466936
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]ethanol
SMILESCC(O)c1ccccc1NC1CC(C)N(C)C1
InChIInChI=1S/C14H22N2O/c1-10-8-12(9-16(10)3)15-14-7-5-4-6-13(14)11(2)17/h4-7,10-12,15,17H,8-9H2,1-3H3
InChIKeyIJLNIXIXRBSAIU-UHFFFAOYSA-N
XLogP2.24
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-(Methylamino)phenyl)methanol
CID 295953
((4R,10aR)-4-Methyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indol-7-yl)-methanol
CID 20824946
(R,S/S,R)-syn-1-(methyl(phenyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897268
(1S,2R)-1-(methyl(o-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897269
(1S,2R)-1-(2,3-dihydroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride
CID 45139777
(2-(4-Methylpiperazin-1-yl)phenyl)methanol
CID 2795567
cis-Indole-2,3-dihydrodiol
CID 25200922
2-[[4-(Diethylamino)phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 2983160
(1R,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol
CID 44574884
1-Phenyl-2-(phenylamino)ethan-1-ol
CID 12434801
(2-(Pyrrolidin-1-yl)phenyl)methanol
CID 13021765
2-(4-Methyl-2-phenyl-1-piperazinyl)benzenemethanol
CID 13753519

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]ethanol?
The IUPAC name of 1-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]ethanol (CID 81466936) is 1-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]ethanol?
The canonical SMILES for 1-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]ethanol is CC(O)c1ccccc1NC1CC(C)N(C)C1.
What is the InChIKey of 1-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]ethanol?
The InChIKey is IJLNIXIXRBSAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-8-12(9-16(10)3)15-14-7-5-4-6-13(14)11(2)17/h4-7,10-12,15,17H,8-9H2,1-3H3.
What are the key properties of 1-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]ethanol?
1-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]ethanol has a molecular weight of 234.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]ethanol is sourced from PubChem (CID 81466936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).