N,N-dimethyl-1-[2-(methylamino)-2-phenylethyl]pyrrolidin-3-amine

C15H25N3 — CID 63164036

IUPACN,N-dimethyl-1-[2-(methylamino)-2-phenylethyl]pyrrolidin-3-amine
SMILESCNC(CN1CCC(N(C)C)C1)c1ccccc1
InChIInChI=1S/C15H25N3/c1-16-15(13-7-5-4-6-8-13)12-18-10-9-14(11-18)17(2)3/h4-8,14-16H,9-12H2,1-3H3
InChIKeyZAOLUFPDBJKUBJ-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.58
Rot. Bonds5

About N,N-dimethyl-1-[2-(methylamino)-2-phenylethyl]pyrrolidin-3-amine

N,N-dimethyl-1-[2-(methylamino)-2-phenylethyl]pyrrolidin-3-amine (PubChem CID 63164036) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(methylamino)-2-phenylethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(methylamino)-2-phenylethyl]pyrrolidin-3-amine
PubChem CID63164036
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN,N-dimethyl-1-[2-(methylamino)-2-phenylethyl]pyrrolidin-3-amine
SMILESCNC(CN1CCC(N(C)C)C1)c1ccccc1
InChIInChI=1S/C15H25N3/c1-16-15(13-7-5-4-6-8-13)12-18-10-9-14(11-18)17(2)3/h4-8,14-16H,9-12H2,1-3H3
InChIKeyZAOLUFPDBJKUBJ-UHFFFAOYSA-N
XLogP1.58
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1,3-benzodioxol-5-yl)-2-(methylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163903
(3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride
CID 23594216
2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine
CID 135374431
3-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylpropanethioamide
CID 64536326
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-methyl-1-phenylethanamine
CID 63150172
2-(3-methoxypiperidin-1-yl)-N-methyl-1-phenylethanamine
CID 102965612
N,N-dimethyl-1-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyrrolidin-3-amine
CID 63163998
N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 55094265
1-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164076
1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 107521048
1-(2-amino-2-naphthalen-1-ylethyl)-N,N-dimethylpyrrolidin-3-amine
CID 63163943
N-[(1S)-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethyl]-1-quinolin-2-ylcyclopropane-1-carboxamide;sulfane
CID 158591833

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(methylamino)-2-phenylethyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[2-(methylamino)-2-phenylethyl]pyrrolidin-3-amine (CID 63164036) is N,N-dimethyl-1-[2-(methylamino)-2-phenylethyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[2-(methylamino)-2-phenylethyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[2-(methylamino)-2-phenylethyl]pyrrolidin-3-amine is CNC(CN1CCC(N(C)C)C1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-1-[2-(methylamino)-2-phenylethyl]pyrrolidin-3-amine?
The InChIKey is ZAOLUFPDBJKUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-16-15(13-7-5-4-6-8-13)12-18-10-9-14(11-18)17(2)3/h4-8,14-16H,9-12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[2-(methylamino)-2-phenylethyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[2-(methylamino)-2-phenylethyl]pyrrolidin-3-amine has a molecular weight of 247.39 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(methylamino)-2-phenylethyl]pyrrolidin-3-amine is sourced from PubChem (CID 63164036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).