3-(2-methylpyrrolidin-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol

C17H28N2O — CID 64790980

IUPAC3-(2-methylpyrrolidin-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)(CN1CCCC1C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-14(2)18-17(13-20,16-9-5-4-6-10-16)12-19-11-7-8-15(19)3/h4-6,9-10,14-15,18,20H,7-8,11-13H2,1-3H3
InChIKeyLBFMAYAVVINXHH-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.36
Rot. Bonds6

About 3-(2-methylpyrrolidin-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol

3-(2-methylpyrrolidin-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64790980) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-(2-methylpyrrolidin-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-methylpyrrolidin-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID64790980
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-(2-methylpyrrolidin-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)(CN1CCCC1C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-14(2)18-17(13-20,16-9-5-4-6-10-16)12-19-11-7-8-15(19)3/h4-6,9-10,14-15,18,20H,7-8,11-13H2,1-3H3
InChIKeyLBFMAYAVVINXHH-UHFFFAOYSA-N
XLogP2.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
CID 65322650
3-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-phenylpropan-1-ol
CID 64788960
3-(4-chloro-3-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64809068
2-cyclopropyl-3-(2-methylazepan-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64791236
4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694241
3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64804504
3-[cyclopropyl(propyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64797458
3-(2-methylpyrrolidin-1-yl)-2-phenylpropan-1-ol
CID 53416012
1-(2,3-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol
CID 55068472
4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694277
3-[2,2-dimethylpropyl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64826976
3-[butan-2-yl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64798274

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrrolidin-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-(2-methylpyrrolidin-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol (CID 64790980) is 3-(2-methylpyrrolidin-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-(2-methylpyrrolidin-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-(2-methylpyrrolidin-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(CO)(CN1CCCC1C)c1ccccc1.
What is the InChIKey of 3-(2-methylpyrrolidin-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is LBFMAYAVVINXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)18-17(13-20,16-9-5-4-6-10-16)12-19-11-7-8-15(19)3/h4-6,9-10,14-15,18,20H,7-8,11-13H2,1-3H3.
What are the key properties of 3-(2-methylpyrrolidin-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
3-(2-methylpyrrolidin-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrrolidin-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64790980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).