2-(2-chloro-6-methoxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine

C16H25ClN2O — CID 104816433

IUPAC2-(2-chloro-6-methoxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine
SMILESCCCC1CCN(C(CN)c2c(Cl)cccc2OC)C1
InChIInChI=1S/C16H25ClN2O/c1-3-5-12-8-9-19(11-12)14(10-18)16-13(17)6-4-7-15(16)20-2/h4,6-7,12,14H,3,5,8-11,18H2,1-2H3
InChIKeyXQPWWYVHHCKQNA-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.47
Rot. Bonds6

About 2-(2-chloro-6-methoxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine

2-(2-chloro-6-methoxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine (PubChem CID 104816433) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine
PubChem CID104816433
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-(2-chloro-6-methoxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine
SMILESCCCC1CCN(C(CN)c2c(Cl)cccc2OC)C1
InChIInChI=1S/C16H25ClN2O/c1-3-5-12-8-9-19(11-12)14(10-18)16-13(17)6-4-7-15(16)20-2/h4,6-7,12,14H,3,5,8-11,18H2,1-2H3
InChIKeyXQPWWYVHHCKQNA-UHFFFAOYSA-N
XLogP3.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 104816358
2-(2-chloro-6-methoxyphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
CID 104816353
1-[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 104816411
2-(2-chloro-6-methoxyphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
CID 104816304
2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965160
[1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]methanol
CID 112624382
2-(4-chloro-2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine
CID 114843397
2-(4-ethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanamine
CID 61420799
3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine
CID 113417035
2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965128
2-(2,3-dimethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 43584302
1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine
CID 104816316

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine (CID 104816433) is 2-(2-chloro-6-methoxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine is CCCC1CCN(C(CN)c2c(Cl)cccc2OC)C1.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine?
The InChIKey is XQPWWYVHHCKQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-3-5-12-8-9-19(11-12)14(10-18)16-13(17)6-4-7-15(16)20-2/h4,6-7,12,14H,3,5,8-11,18H2,1-2H3.
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine?
2-(2-chloro-6-methoxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine has a molecular weight of 296.84 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 104816433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).