1-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol

C15H24N2O — CID 79540027

IUPAC1-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol
SMILESCC(CC1CCCN1)NCC(O)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-12(10-14-8-5-9-16-14)17-11-15(18)13-6-3-2-4-7-13/h2-4,6-7,12,14-18H,5,8-11H2,1H3
InChIKeyBTIRSBCMQYDEKG-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.84
Rot. Bonds6

About 1-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol

1-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol (PubChem CID 79540027) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol
PubChem CID79540027
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol
SMILESCC(CC1CCCN1)NCC(O)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-12(10-14-8-5-9-16-14)17-11-15(18)13-6-3-2-4-7-13/h2-4,6-7,12,14-18H,5,8-11H2,1H3
InChIKeyBTIRSBCMQYDEKG-UHFFFAOYSA-N
XLogP1.84
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
2-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol
CID 79539961
(1R)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788130
(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788131
3-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,2-diol
CID 79540718
2-ethyl-1-phenyl-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine
CID 79538040
(2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol
CID 107862315
N-(2-phenylsulfanylethyl)-1-piperidin-2-ylpropan-2-amine
CID 79537019
3-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid
CID 79541025
N-(2,2-dicyclopropylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541769
N-[1-(azepan-2-yl)propan-2-yl]-2-methyl-1-phenylpropan-1-amine
CID 79540841
2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636659

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol?
The IUPAC name of 1-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol (CID 79540027) is 1-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol.
What is the SMILES notation for 1-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol?
The canonical SMILES for 1-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol is CC(CC1CCCN1)NCC(O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol?
The InChIKey is BTIRSBCMQYDEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(10-14-8-5-9-16-14)17-11-15(18)13-6-3-2-4-7-13/h2-4,6-7,12,14-18H,5,8-11H2,1H3.
What are the key properties of 1-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol?
1-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol has a molecular weight of 248.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol is sourced from PubChem (CID 79540027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).