1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine

C15H25N3 — CID 63166318

IUPAC1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1ccc(C(CN)N2CCC(N(C)C)C2)cc1
InChIInChI=1S/C15H25N3/c1-12-4-6-13(7-5-12)15(10-16)18-9-8-14(11-18)17(2)3/h4-7,14-15H,8-11,16H2,1-3H3
InChIKeyOJOJYIZHMLKUFB-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.63
Rot. Bonds4

About 1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine

1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63166318) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63166318
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1ccc(C(CN)N2CCC(N(C)C)C2)cc1
InChIInChI=1S/C15H25N3/c1-12-4-6-13(7-5-12)15(10-16)18-9-8-14(11-18)17(2)3/h4-7,14-15H,8-11,16H2,1-3H3
InChIKeyOJOJYIZHMLKUFB-UHFFFAOYSA-N
XLogP1.63
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 105404983
1-[2-amino-1-[4-(difluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine
CID 115524400
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-methylphenyl)ethanamine
CID 79175124
1-[2-amino-1-(4-methylphenyl)ethyl]piperidin-4-ol
CID 55016646
1-[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166554
1-[2-amino-1-(1-ethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 103569603
1-[2-amino-1-(4-fluorophenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63171490
1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166417
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311
1-[2-amino-1-(1,3-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 83089837
1-[2-amino-1-(2-cyclopropylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 79983177
1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166284

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine (CID 63166318) is 1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine is Cc1ccc(C(CN)N2CCC(N(C)C)C2)cc1.
What is the InChIKey of 1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is OJOJYIZHMLKUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12-4-6-13(7-5-12)15(10-16)18-9-8-14(11-18)17(2)3/h4-7,14-15H,8-11,16H2,1-3H3.
What are the key properties of 1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 247.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63166318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).