2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-1-phenylethanol

C16H24N2O — CID 115706037

IUPAC2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-1-phenylethanol
SMILESCC1CC(NCC(O)c2ccccc2)CN1C1CC1
InChIInChI=1S/C16H24N2O/c1-12-9-14(11-18(12)15-7-8-15)17-10-16(19)13-5-3-2-4-6-13/h2-6,12,14-17,19H,7-11H2,1H3
InChIKeyASMOFNJXQKWPHN-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.93
Rot. Bonds5

About 2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-1-phenylethanol

2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-1-phenylethanol (PubChem CID 115706037) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-1-phenylethanol
PubChem CID115706037
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-1-phenylethanol
SMILESCC1CC(NCC(O)c2ccccc2)CN1C1CC1
InChIInChI=1S/C16H24N2O/c1-12-9-14(11-18(12)15-7-8-15)17-10-16(19)13-5-3-2-4-6-13/h2-6,12,14-17,19H,7-11H2,1H3
InChIKeyASMOFNJXQKWPHN-UHFFFAOYSA-N
XLogP1.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-5-fluorophenyl)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]ethanol
CID 154780291
4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methylbutan-1-ol
CID 115725102
3-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methyl-3-phenylpropanamide
CID 119900314
(1S)-1-phenyl-2-[[(2R,4R,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol
CID 124739387
1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111976784
4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 115715680
1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 110901793
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 115706083
3-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]hexan-1-ol
CID 103787444
(1R)-2-(2,3-dihydro-1H-inden-2-ylamino)-1-phenylethanol
CID 6926815
(2S)-2-amino-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-phenylpropanamide
CID 124693344
2-[3-[(2-hydroxy-2-phenylethyl)amino]cyclohexyl]isoindole-1,3-dione
CID 75470313

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-1-phenylethanol?
The IUPAC name of 2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-1-phenylethanol (CID 115706037) is 2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-1-phenylethanol is CC1CC(NCC(O)c2ccccc2)CN1C1CC1.
What is the InChIKey of 2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-1-phenylethanol?
The InChIKey is ASMOFNJXQKWPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-9-14(11-18(12)15-7-8-15)17-10-16(19)13-5-3-2-4-6-13/h2-6,12,14-17,19H,7-11H2,1H3.
What are the key properties of 2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-1-phenylethanol?
2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-1-phenylethanol has a molecular weight of 260.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-1-phenylethanol is sourced from PubChem (CID 115706037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).