N,2-dimethyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine

C17H28N2 — CID 58948589

IUPACN,2-dimethyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine
SMILESCN(C(CN1CCCC1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C17H28N2/c1-17(2,3)18(4)16(14-19-12-8-9-13-19)15-10-6-5-7-11-15/h5-7,10-11,16H,8-9,12-14H2,1-4H3
InChIKeyLBPIXOASGFHAOI-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.55
Rot. Bonds4

About N,2-dimethyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine

N,2-dimethyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine (PubChem CID 58948589) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N,2-dimethyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine
PubChem CID58948589
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN,2-dimethyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine
SMILESCN(C(CN1CCCC1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C17H28N2/c1-17(2,3)18(4)16(14-19-12-8-9-13-19)15-10-6-5-7-11-15/h5-7,10-11,16H,8-9,12-14H2,1-4H3
InChIKeyLBPIXOASGFHAOI-UHFFFAOYSA-N
XLogP3.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 11779548
N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 143114177
N-methyl-2-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 3298213
N-methyl-2-phenyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 86268656
ethane;N-methyl-2-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 91275660
N-methyl-2-phenyl-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]acetamide
CID 86268866
1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]pyrrolidine
CID 58172305
tert-butyl-(2-morpholin-4-yl-1-phenylethyl)carbamic acid
CID 175111015
N-methyl-1-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide;hydrochloride
CID 77179130
(1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine
CID 70936493
2-(4-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
CID 10452010
N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-9H-xanthene-9-carboxamide
CID 67673330

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine?
The IUPAC name of N,2-dimethyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine (CID 58948589) is N,2-dimethyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine.
What is the SMILES notation for N,2-dimethyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine?
The canonical SMILES for N,2-dimethyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine is CN(C(CN1CCCC1)c1ccccc1)C(C)(C)C.
What is the InChIKey of N,2-dimethyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine?
The InChIKey is LBPIXOASGFHAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2,3)18(4)16(14-19-12-8-9-13-19)15-10-6-5-7-11-15/h5-7,10-11,16H,8-9,12-14H2,1-4H3.
What are the key properties of N,2-dimethyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine?
N,2-dimethyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine is sourced from PubChem (CID 58948589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).