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

C17H29N3O — CID 81452250

IUPAC1-[2-amino-2-(2-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCOc1ccccc1C(N)CN1CC(C)C(N(C)C)C1
InChIInChI=1S/C17H29N3O/c1-5-21-17-9-7-6-8-14(17)15(18)11-20-10-13(2)16(12-20)19(3)4/h6-9,13,15-16H,5,10-12,18H2,1-4H3
InChIKeyKGODRXQGYIIACD-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.97
Rot. Bonds6

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

1-[2-amino-2-(2-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81452250) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[2-amino-2-(2-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-2-(2-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81452250
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[2-amino-2-(2-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCOc1ccccc1C(N)CN1CC(C)C(N(C)C)C1
InChIInChI=1S/C17H29N3O/c1-5-21-17-9-7-6-8-14(17)15(18)11-20-10-13(2)16(12-20)19(3)4/h6-9,13,15-16H,5,10-12,18H2,1-4H3
InChIKeyKGODRXQGYIIACD-UHFFFAOYSA-N
XLogP1.97
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-amino-2-(2-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-2-amino-2-phenylethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 112736995
1-[2-amino-2-(2,4-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464731
1-[2-amino-2-(2-ethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 16783798
1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62986560
1-[3-amino-3-(2-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474862
2-(2,3-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanamine
CID 62122834
1-(2-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 62988321
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
methyl 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-phenylpropanoate
CID 81452459
2-(cyclopropylmethoxy)-1-(2-ethoxyphenyl)ethanamine
CID 43211702
N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 43267133
1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-3,5-dimethylpiperidine
CID 82215146

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(2-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-2-(2-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81452250) is 1-[2-amino-2-(2-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-2-(2-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-2-(2-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine is CCOc1ccccc1C(N)CN1CC(C)C(N(C)C)C1.
What is the InChIKey of 1-[2-amino-2-(2-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is KGODRXQGYIIACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-21-17-9-7-6-8-14(17)15(18)11-20-10-13(2)16(12-20)19(3)4/h6-9,13,15-16H,5,10-12,18H2,1-4H3.
What are the key properties of 1-[2-amino-2-(2-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[2-amino-2-(2-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 291.44 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(2-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81452250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).