1-[2-amino-2-(2,4-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine

C17H29N3 — CID 81464731

IUPAC1-[2-amino-2-(2,4-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCc1ccc(C(N)CN2CC(C)C(N(C)C)C2)c(C)c1
InChIInChI=1S/C17H29N3/c1-12-6-7-15(13(2)8-12)16(18)10-20-9-14(3)17(11-20)19(4)5/h6-8,14,16-17H,9-11,18H2,1-5H3
InChIKeyBKJLCZKZQQINNV-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.19
Rot. Bonds4

About 1-[2-amino-2-(2,4-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[2-amino-2-(2,4-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81464731) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[2-amino-2-(2,4-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-2-(2,4-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81464731
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-[2-amino-2-(2,4-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCc1ccc(C(N)CN2CC(C)C(N(C)C)C2)c(C)c1
InChIInChI=1S/C17H29N3/c1-12-6-7-15(13(2)8-12)16(18)10-20-9-14(3)17(11-20)19(4)5/h6-8,14,16-17H,9-11,18H2,1-5H3
InChIKeyBKJLCZKZQQINNV-UHFFFAOYSA-N
XLogP2.19
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,5-dimethylphenyl)-2-(methylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81452259
1-[(2S)-2-amino-2-phenylethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 112736995
1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643538
1-[2-amino-2-(2-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81452250
1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine
CID 43098495
1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62200913
1-(2,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562608
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2,4-dimethylphenyl)ethanamine
CID 79937953
1-(2,4-dimethylphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54882552
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,5-dimethylphenyl)ethanamine
CID 103532436
1-[3-amino-3-(2-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474862
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone
CID 81465416

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(2,4-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-2-(2,4-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81464731) is 1-[2-amino-2-(2,4-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-2-(2,4-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-2-(2,4-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine is Cc1ccc(C(N)CN2CC(C)C(N(C)C)C2)c(C)c1.
What is the InChIKey of 1-[2-amino-2-(2,4-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is BKJLCZKZQQINNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-12-6-7-15(13(2)8-12)16(18)10-20-9-14(3)17(11-20)19(4)5/h6-8,14,16-17H,9-11,18H2,1-5H3.
What are the key properties of 1-[2-amino-2-(2,4-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[2-amino-2-(2,4-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 275.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(2,4-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81464731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).