2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-ol

C17H28N2O — CID 81474761

IUPAC2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)C(C)N2CC(C)C(N(C)C)C2)cc1
InChIInChI=1S/C17H28N2O/c1-12-6-8-15(9-7-12)17(20)14(3)19-10-13(2)16(11-19)18(4)5/h6-9,13-14,16-17,20H,10-11H2,1-5H3
InChIKeyOFUITAIYSUBTSP-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.30
Rot. Bonds4

About 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-ol

2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-ol (PubChem CID 81474761) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-ol
PubChem CID81474761
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)C(C)N2CC(C)C(N(C)C)C2)cc1
InChIInChI=1S/C17H28N2O/c1-12-6-8-15(9-7-12)17(20)14(3)19-10-13(2)16(11-19)18(4)5/h6-9,13-14,16-17,20H,10-11H2,1-5H3
InChIKeyOFUITAIYSUBTSP-UHFFFAOYSA-N
XLogP2.30
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-methylphenyl)propan-1-ol
CID 115561355
1-[2-amino-1-(4-methylphenyl)butyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81450382
1-[2-amino-1-(4-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464189
1-[2-amino-1-(3,5-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81463926
N,N,4-trimethyl-1-[1-phenyl-2-(propan-2-ylamino)ethyl]pyrrolidin-3-amine
CID 81463881
1-(4-methylphenyl)-2-(4-propylpiperidin-1-yl)propan-1-ol
CID 62205059
(3S,4R)-1-[(1R)-1-(4-chlorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 100904795
1-[2-amino-1-(4-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81450937
1-[2-amino-1-(4-bromophenyl)butyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81451292
1-[4-[(1R)-1-aminoethyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81463769
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxypropanimidamide
CID 81464616
4-methyl-1-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 103575368

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-ol (CID 81474761) is 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-ol is Cc1ccc(C(O)C(C)N2CC(C)C(N(C)C)C2)cc1.
What is the InChIKey of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-ol?
The InChIKey is OFUITAIYSUBTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12-6-8-15(9-7-12)17(20)14(3)19-10-13(2)16(11-19)18(4)5/h6-9,13-14,16-17,20H,10-11H2,1-5H3.
What are the key properties of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-ol?
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 81474761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).