N-[2-(3,4-dimethylpyrrolidin-1-yl)-2-phenylethyl]propan-2-amine

C17H28N2 — CID 79183761

IUPACN-[2-(3,4-dimethylpyrrolidin-1-yl)-2-phenylethyl]propan-2-amine
SMILESCC(C)NCC(c1ccccc1)N1CC(C)C(C)C1
InChIInChI=1S/C17H28N2/c1-13(2)18-10-17(16-8-6-5-7-9-16)19-11-14(3)15(4)12-19/h5-9,13-15,17-18H,10-12H2,1-4H3
InChIKeyYWRCAGNGMRSVSO-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.31
Rot. Bonds5

About N-[2-(3,4-dimethylpyrrolidin-1-yl)-2-phenylethyl]propan-2-amine

N-[2-(3,4-dimethylpyrrolidin-1-yl)-2-phenylethyl]propan-2-amine (PubChem CID 79183761) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[2-(3,4-dimethylpyrrolidin-1-yl)-2-phenylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethylpyrrolidin-1-yl)-2-phenylethyl]propan-2-amine
PubChem CID79183761
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[2-(3,4-dimethylpyrrolidin-1-yl)-2-phenylethyl]propan-2-amine
SMILESCC(C)NCC(c1ccccc1)N1CC(C)C(C)C1
InChIInChI=1S/C17H28N2/c1-13(2)18-10-17(16-8-6-5-7-9-16)19-11-14(3)15(4)12-19/h5-9,13-15,17-18H,10-12H2,1-4H3
InChIKeyYWRCAGNGMRSVSO-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,4-trimethyl-1-[1-phenyl-2-(propan-2-ylamino)ethyl]pyrrolidin-3-amine
CID 81463881
N-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylethyl]propan-2-amine
CID 103539932
N-[2-(2,5-dimethylmorpholin-4-yl)-2-phenylethyl]propan-2-amine
CID 62431897
1-cyclobutyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine
CID 115704706
N-[1-(1-methylcyclopropyl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43363202
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]-2-methylpropan-2-amine
CID 115562272
2-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-1-phenylbutan-1-amine
CID 79189168
2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 79188487
2-methyl-N-[2-(3-methylpyrrolidin-1-yl)-2-phenylethyl]propan-1-amine
CID 62428755
N-[2-(2-methylcyclohexyl)oxy-2-phenylethyl]propan-2-amine
CID 62108282
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]cyclopropanamine
CID 115562211
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine
CID 16642936

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylpyrrolidin-1-yl)-2-phenylethyl]propan-2-amine?
The IUPAC name of N-[2-(3,4-dimethylpyrrolidin-1-yl)-2-phenylethyl]propan-2-amine (CID 79183761) is N-[2-(3,4-dimethylpyrrolidin-1-yl)-2-phenylethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3,4-dimethylpyrrolidin-1-yl)-2-phenylethyl]propan-2-amine?
The canonical SMILES for N-[2-(3,4-dimethylpyrrolidin-1-yl)-2-phenylethyl]propan-2-amine is CC(C)NCC(c1ccccc1)N1CC(C)C(C)C1.
What is the InChIKey of N-[2-(3,4-dimethylpyrrolidin-1-yl)-2-phenylethyl]propan-2-amine?
The InChIKey is YWRCAGNGMRSVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)18-10-17(16-8-6-5-7-9-16)19-11-14(3)15(4)12-19/h5-9,13-15,17-18H,10-12H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethylpyrrolidin-1-yl)-2-phenylethyl]propan-2-amine?
N-[2-(3,4-dimethylpyrrolidin-1-yl)-2-phenylethyl]propan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylpyrrolidin-1-yl)-2-phenylethyl]propan-2-amine is sourced from PubChem (CID 79183761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).