4-[4-[[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl-methylamino]methyl]phenyl]-2-methylbutan-2-ol

C20H34N2O — CID 95897206

IUPAC4-[4-[[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl-methylamino]methyl]phenyl]-2-methylbutan-2-ol
SMILESCN1CC[C@](C)(CN(C)Cc2ccc(CCC(C)(C)O)cc2)C1
InChIInChI=1S/C20H34N2O/c1-19(2,23)11-10-17-6-8-18(9-7-17)14-22(5)16-20(3)12-13-21(4)15-20/h6-9,23H,10-16H2,1-5H3/t20-/m0/s1
InChIKeyAPKFJKRXMGNUEG-FQEVSTJZSA-N
MW318.50 g/mol
LogP3.16
Rot. Bonds7

About 4-[4-[[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl-methylamino]methyl]phenyl]-2-methylbutan-2-ol

4-[4-[[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl-methylamino]methyl]phenyl]-2-methylbutan-2-ol (PubChem CID 95897206) has the molecular formula C20H34N2O and a molecular weight of 318.50 g/mol. Its IUPAC name is 4-[4-[[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl-methylamino]methyl]phenyl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[4-[[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl-methylamino]methyl]phenyl]-2-methylbutan-2-ol
PubChem CID95897206
Molecular FormulaC20H34N2O
Molecular Weight318.50 g/mol
Exact Mass318.27
IUPAC Name4-[4-[[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl-methylamino]methyl]phenyl]-2-methylbutan-2-ol
SMILESCN1CC[C@](C)(CN(C)Cc2ccc(CCC(C)(C)O)cc2)C1
InChIInChI=1S/C20H34N2O/c1-19(2,23)11-10-17-6-8-18(9-7-17)14-22(5)16-20(3)12-13-21(4)15-20/h6-9,23H,10-16H2,1-5H3/t20-/m0/s1
InChIKeyAPKFJKRXMGNUEG-FQEVSTJZSA-N
XLogP3.16
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-[[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl-methylamino]methyl]phenyl]-2-methylbutan-2-ol with MolForge

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Related Compounds

Cyclohexanol, 1-(p-(3-diethylaminopropyl)phenethyl)-
CID 203649
4-(4-{[{[1-(Hydroxymethyl)cyclopropyl]methyl}(methyl)amino]methyl}phenyl)-2-methyl-2-butanol
CID 70709321
4-(4-{[[(1,3-Dimethyl-3-pyrrolidinyl)methyl](methyl)amino]methyl}phenyl)-2-methyl-2-butanol
CID 70784199
[1-(4-Ethylbenzyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91783379
2-Methyl-4-{4-[(1'-methyl-4,4'-bipiperidin-1-yl)methyl]phenyl}-2-butanol
CID 70732568
2-(1-Benzylpyrrolidin-2-yl)-3,3-dimethylbutan-2-ol
CID 15727393
Trisdodecylhydroxybenzyltriocta decylammonium bromide
CID 129761361
4-{4-[(4,4-Difluoro-1-piperidinyl)methyl]phenyl}-2-methyl-2-butanol
CID 70752049
3-[3-Fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol
CID 117347304
1-[[3-Fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropan-1-ol
CID 117376702
2-[3-Fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-methylpropan-1-ol
CID 117382077
3-[1-methyl-6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]propan-1-ol
CID 23777701

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl-methylamino]methyl]phenyl]-2-methylbutan-2-ol?
The IUPAC name of 4-[4-[[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl-methylamino]methyl]phenyl]-2-methylbutan-2-ol (CID 95897206) is 4-[4-[[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl-methylamino]methyl]phenyl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[4-[[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl-methylamino]methyl]phenyl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[4-[[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl-methylamino]methyl]phenyl]-2-methylbutan-2-ol is CN1CC[C@](C)(CN(C)Cc2ccc(CCC(C)(C)O)cc2)C1.
What is the InChIKey of 4-[4-[[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl-methylamino]methyl]phenyl]-2-methylbutan-2-ol?
The InChIKey is APKFJKRXMGNUEG-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H34N2O/c1-19(2,23)11-10-17-6-8-18(9-7-17)14-22(5)16-20(3)12-13-21(4)15-20/h6-9,23H,10-16H2,1-5H3/t20-/m0/s1.
What are the key properties of 4-[4-[[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl-methylamino]methyl]phenyl]-2-methylbutan-2-ol?
4-[4-[[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl-methylamino]methyl]phenyl]-2-methylbutan-2-ol has a molecular weight of 318.50 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl-methylamino]methyl]phenyl]-2-methylbutan-2-ol is sourced from PubChem (CID 95897206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).