2-methyl-3-(3-phenylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol

C17H28N2O — CID 64788383

IUPAC2-methyl-3-(3-phenylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(C)(CO)CN1CCC(c2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-14(2)18-17(3,13-20)12-19-10-9-16(11-19)15-7-5-4-6-8-15/h4-8,14,16,18,20H,9-13H2,1-3H3
InChIKeyFUCUCMJKAJKAPO-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.22
Rot. Bonds6

About 2-methyl-3-(3-phenylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol

2-methyl-3-(3-phenylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64788383) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-methyl-3-(3-phenylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(3-phenylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
PubChem CID64788383
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-methyl-3-(3-phenylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(C)(CO)CN1CCC(c2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-14(2)18-17(3,13-20)12-19-10-9-16(11-19)15-7-5-4-6-8-15/h4-8,14,16,18,20H,9-13H2,1-3H3
InChIKeyFUCUCMJKAJKAPO-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-2-amine
CID 62488099
2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butanoic acid
CID 62272328
N-ethyl-2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butan-1-amine
CID 62255996
2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine
CID 55069157
3-(4-cyclopentylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64788217
6-(3-phenylpyrrolidin-1-yl)hexan-2-ol
CID 62133412
3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 62559929
3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62413169
2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine
CID 55069158
N-[(2R)-3-methylbutan-2-yl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95280817
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 94824860
(3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 95299881

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-phenylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-methyl-3-(3-phenylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol (CID 64788383) is 2-methyl-3-(3-phenylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(3-phenylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-methyl-3-(3-phenylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(C)(CO)CN1CCC(c2ccccc2)C1.
What is the InChIKey of 2-methyl-3-(3-phenylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is FUCUCMJKAJKAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)18-17(3,13-20)12-19-10-9-16(11-19)15-7-5-4-6-8-15/h4-8,14,16,18,20H,9-13H2,1-3H3.
What are the key properties of 2-methyl-3-(3-phenylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol?
2-methyl-3-(3-phenylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-phenylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64788383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).