4-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol

C18H30N2O — CID 70755812

IUPAC4-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol
SMILESCN(C)C1CCN(Cc2ccc(CCC(C)(C)O)cc2)C1
InChIInChI=1S/C18H30N2O/c1-18(2,21)11-9-15-5-7-16(8-6-15)13-20-12-10-17(14-20)19(3)4/h5-8,17,21H,9-14H2,1-4H3
InChIKeyYZPKZQDEVQNUJZ-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.53
Rot. Bonds6

About 4-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol

4-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol (PubChem CID 70755812) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol
PubChem CID70755812
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol
SMILESCN(C)C1CCN(Cc2ccc(CCC(C)(C)O)cc2)C1
InChIInChI=1S/C18H30N2O/c1-18(2,21)11-9-15-5-7-16(8-6-15)13-20-12-10-17(14-20)19(3)4/h5-8,17,21H,9-14H2,1-4H3
InChIKeyYZPKZQDEVQNUJZ-UHFFFAOYSA-N
XLogP2.53
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol
CID 70761607
1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 77453260
4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]benzoic acid
CID 90269710
4-[4-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]phenyl]-2-methylbutan-2-ol
CID 70773562
(2S)-4-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-N,N-dimethylmorpholine-2-carboxamide
CID 95862793
2-[4-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 70744337
2-methyl-4-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]butan-2-ol
CID 70766914
3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol
CID 82980094
N,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine
CID 11695061
(3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine
CID 11631823
[1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 70779312
1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63532635

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol?
The IUPAC name of 4-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol (CID 70755812) is 4-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol is CN(C)C1CCN(Cc2ccc(CCC(C)(C)O)cc2)C1.
What is the InChIKey of 4-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol?
The InChIKey is YZPKZQDEVQNUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-18(2,21)11-9-15-5-7-16(8-6-15)13-20-12-10-17(14-20)19(3)4/h5-8,17,21H,9-14H2,1-4H3.
What are the key properties of 4-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol?
4-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol has a molecular weight of 290.45 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol is sourced from PubChem (CID 70755812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).