1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol

C16H26N2O — CID 79318601

IUPAC1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol
SMILESCN(CC1CCCN1C)CC(C)(O)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-16(19,14-8-5-4-6-9-14)13-17(2)12-15-10-7-11-18(15)3/h4-6,8-9,15,19H,7,10-13H2,1-3H3
InChIKeyRHCBFVONPQJKSI-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.92
Rot. Bonds5

About 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol

1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol (PubChem CID 79318601) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol
PubChem CID79318601
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol
SMILESCN(CC1CCCN1C)CC(C)(O)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-16(19,14-8-5-4-6-9-14)13-17(2)12-15-10-7-11-18(15)3/h4-6,8-9,15,19H,7,10-13H2,1-3H3
InChIKeyRHCBFVONPQJKSI-UHFFFAOYSA-N
XLogP1.92
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,2-diamine
CID 79319905
2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropanal
CID 79313119
N,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine
CID 79310034
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one
CID 79318976
3-bromo-N,2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 79318918
2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine
CID 69304203
1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropane-1,2-diamine
CID 79318693
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid
CID 79315014
N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline
CID 57253639
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol
CID 79317268
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide
CID 79631821
2-[[methyl-[(1-methylpiperidin-2-yl)methyl]amino]methyl]benzoic acid
CID 77081369

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol (CID 79318601) is 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol is CN(CC1CCCN1C)CC(C)(O)c1ccccc1.
What is the InChIKey of 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol?
The InChIKey is RHCBFVONPQJKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(19,14-8-5-4-6-9-14)13-17(2)12-15-10-7-11-18(15)3/h4-6,8-9,15,19H,7,10-13H2,1-3H3.
What are the key properties of 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol?
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol has a molecular weight of 262.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol is sourced from PubChem (CID 79318601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).