1-[2-amino-1-(3,5-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine

C15H23Cl2N3 — CID 81465043

IUPAC1-[2-amino-1-(3,5-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(C(CN)c2cc(Cl)cc(Cl)c2)CC1N(C)C
InChIInChI=1S/C15H23Cl2N3/c1-10-8-20(9-15(10)19(2)3)14(7-18)11-4-12(16)6-13(17)5-11/h4-6,10,14-15H,7-9,18H2,1-3H3
InChIKeyNPGCKZZTNBXMNI-UHFFFAOYSA-N
MW316.28 g/mol
LogP2.88
Rot. Bonds4

About 1-[2-amino-1-(3,5-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[2-amino-1-(3,5-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81465043) has the molecular formula C15H23Cl2N3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 1-[2-amino-1-(3,5-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-1-(3,5-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81465043
Molecular FormulaC15H23Cl2N3
Molecular Weight316.28 g/mol
Exact Mass315.13
IUPAC Name1-[2-amino-1-(3,5-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(C(CN)c2cc(Cl)cc(Cl)c2)CC1N(C)C
InChIInChI=1S/C15H23Cl2N3/c1-10-8-20(9-15(10)19(2)3)14(7-18)11-4-12(16)6-13(17)5-11/h4-6,10,14-15H,7-9,18H2,1-3H3
InChIKeyNPGCKZZTNBXMNI-UHFFFAOYSA-N
XLogP2.88
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-amino-1-(3,5-dichlorophenyl)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-[2-amino-1-(3,5-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81463926
1-[2-amino-1-(3,4-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464318
(2S)-2-(3,5-dichlorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 124552555
1-[2-amino-1-(4-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81450937
(3S,4R)-1-[(1R)-1-(4-chlorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 100904795
(2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552547
2-(3,5-dichlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 63605245
1-[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 104816411
2-(3-chloro-5-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 114453224
1-[2-amino-1-(2-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81460436
2-(azepan-1-yl)-2-(3,5-dichlorophenyl)ethanamine
CID 60788814
2-(4-chlorothiophen-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 79427183

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(3,5-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-1-(3,5-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81465043) is 1-[2-amino-1-(3,5-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-1-(3,5-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-1-(3,5-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine is CC1CN(C(CN)c2cc(Cl)cc(Cl)c2)CC1N(C)C.
What is the InChIKey of 1-[2-amino-1-(3,5-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is NPGCKZZTNBXMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3/c1-10-8-20(9-15(10)19(2)3)14(7-18)11-4-12(16)6-13(17)5-11/h4-6,10,14-15H,7-9,18H2,1-3H3.
What are the key properties of 1-[2-amino-1-(3,5-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[2-amino-1-(3,5-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 316.28 g/mol, XLogP of 2.88, 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-(3,5-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81465043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).