2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine

C16H26N2 — CID 55069157

IUPAC2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCN1CCC(c2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-16(2,3)17-10-12-18-11-9-15(13-18)14-7-5-4-6-8-14/h4-8,15,17H,9-13H2,1-3H3
InChIKeyJYMBTVHBFZLSNX-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.86
Rot. Bonds4

About 2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine

2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine (PubChem CID 55069157) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine
PubChem CID55069157
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCN1CCC(c2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-16(2,3)17-10-12-18-11-9-15(13-18)14-7-5-4-6-8-14/h4-8,15,17H,9-13H2,1-3H3
InChIKeyJYMBTVHBFZLSNX-UHFFFAOYSA-N
XLogP2.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine
CID 55069158
3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 62559929
2-methyl-4-(3-phenylpyrrolidin-1-yl)-2-(propylamino)butanenitrile
CID 62131420
2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 65247484
1-(2-chloroethyl)-3-phenylpyrrolidine
CID 62133780
2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine
CID 65254158
2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanethioamide
CID 65248920
2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 62131421
4-ethoxy-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 62560108
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-2-amine
CID 62488099
N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine
CID 21051144

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine (CID 55069157) is 2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine is CC(C)(C)NCCN1CCC(c2ccccc2)C1.
What is the InChIKey of 2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine?
The InChIKey is JYMBTVHBFZLSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,3)17-10-12-18-11-9-15(13-18)14-7-5-4-6-8-14/h4-8,15,17H,9-13H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine?
2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 55069157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).