N-[[2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine

C16H25ClN2 — CID 83220637

IUPACN-[[2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1N1C(C)CCC1CC
InChIInChI=1S/C16H25ClN2/c1-4-13-10-9-12(3)19(13)16-8-6-7-15(17)14(16)11-18-5-2/h6-8,12-13,18H,4-5,9-11H2,1-3H3
InChIKeyNCXZLQJWXKPADG-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.22
Rot. Bonds5

About N-[[2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine

N-[[2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine (PubChem CID 83220637) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-[[2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine
PubChem CID83220637
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC NameN-[[2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1N1C(C)CCC1CC
InChIInChI=1S/C16H25ClN2/c1-4-13-10-9-12(3)19(13)16-8-6-7-15(17)14(16)11-18-5-2/h6-8,12-13,18H,4-5,9-11H2,1-3H3
InChIKeyNCXZLQJWXKPADG-UHFFFAOYSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine 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

[2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluorophenyl]methanamine
CID 83227227
2-(2-ethyl-5-methylpyrrolidin-1-yl)aniline
CID 83218413
N-[[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 61445797
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
N-[[2-chloro-6-(2-propylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 83055662
N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 63635864
N-[[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 83219275
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chlorophenyl]methyl]ethanamine
CID 54980827
N-[[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-6-chlorophenyl]methyl]ethanamine
CID 102727329
3-chloro-2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenol
CID 83224793
N-[[2-chloro-6-(2-ethylazepan-1-yl)phenyl]methyl]propan-1-amine
CID 104690803
N-[[2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine
CID 54977416

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine (CID 83220637) is N-[[2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine is CCNCc1c(Cl)cccc1N1C(C)CCC1CC.
What is the InChIKey of N-[[2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is NCXZLQJWXKPADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-4-13-10-9-12(3)19(13)16-8-6-7-15(17)14(16)11-18-5-2/h6-8,12-13,18H,4-5,9-11H2,1-3H3.
What are the key properties of N-[[2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine?
N-[[2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 280.84 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 83220637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).