[1-(3-amino-2-methyl-2-phenylpropyl)-3-methylpyrrolidin-2-yl]methanol

C16H26N2O — CID 102789630

IUPAC[1-(3-amino-2-methyl-2-phenylpropyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(CC(C)(CN)c2ccccc2)C1CO
InChIInChI=1S/C16H26N2O/c1-13-8-9-18(15(13)10-19)12-16(2,11-17)14-6-4-3-5-7-14/h3-7,13,15,19H,8-12,17H2,1-2H3
InChIKeyHENGUQRFZYMJEC-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.61
Rot. Bonds5

About [1-(3-amino-2-methyl-2-phenylpropyl)-3-methylpyrrolidin-2-yl]methanol

[1-(3-amino-2-methyl-2-phenylpropyl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102789630) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [1-(3-amino-2-methyl-2-phenylpropyl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-amino-2-methyl-2-phenylpropyl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102789630
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[1-(3-amino-2-methyl-2-phenylpropyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(CC(C)(CN)c2ccccc2)C1CO
InChIInChI=1S/C16H26N2O/c1-13-8-9-18(15(13)10-19)12-16(2,11-17)14-6-4-3-5-7-14/h3-7,13,15,19H,8-12,17H2,1-2H3
InChIKeyHENGUQRFZYMJEC-UHFFFAOYSA-N
XLogP1.61
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 62329869
2-[1-(3-amino-2-methyl-2-phenylpropyl)piperidin-4-yl]oxyethanol
CID 82685523
1-(3-amino-2-methyl-2-phenylpropyl)pyrrolidin-3-ol
CID 55131558
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3,3-dimethylbutan-2-ol
CID 102789651
[3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
CID 102787854
3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 55051607
3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 103539187
3-(3-ethylmorpholin-4-yl)-2-methyl-2-phenylpropan-1-amine
CID 55051592
[3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 102788959
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 102788924
[1-(1-amino-2-methylpropan-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102777698

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-2-methyl-2-phenylpropyl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-amino-2-methyl-2-phenylpropyl)-3-methylpyrrolidin-2-yl]methanol (CID 102789630) is [1-(3-amino-2-methyl-2-phenylpropyl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-amino-2-methyl-2-phenylpropyl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-amino-2-methyl-2-phenylpropyl)-3-methylpyrrolidin-2-yl]methanol is CC1CCN(CC(C)(CN)c2ccccc2)C1CO.
What is the InChIKey of [1-(3-amino-2-methyl-2-phenylpropyl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is HENGUQRFZYMJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-8-9-18(15(13)10-19)12-16(2,11-17)14-6-4-3-5-7-14/h3-7,13,15,19H,8-12,17H2,1-2H3.
What are the key properties of [1-(3-amino-2-methyl-2-phenylpropyl)-3-methylpyrrolidin-2-yl]methanol?
[1-(3-amino-2-methyl-2-phenylpropyl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 262.40 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-2-methyl-2-phenylpropyl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).