4-chloro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline

C14H21ClN2O — CID 64583608

IUPAC4-chloro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline
SMILESCOCC1CCN(CCNc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H21ClN2O/c1-18-11-12-6-8-17(10-12)9-7-16-14-4-2-13(15)3-5-14/h2-5,12,16H,6-11H2,1H3
InChIKeyURTUVEYAAOFYCE-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.72
Rot. Bonds6

About 4-chloro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline

4-chloro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline (PubChem CID 64583608) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-chloro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline
PubChem CID64583608
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-chloro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline
SMILESCOCC1CCN(CCNc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H21ClN2O/c1-18-11-12-6-8-17(10-12)9-7-16-14-4-2-13(15)3-5-14/h2-5,12,16H,6-11H2,1H3
InChIKeyURTUVEYAAOFYCE-UHFFFAOYSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]aniline
CID 103503461
4-chloro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 63627196
4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline
CID 62574452
4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573511
4-chloro-2-fluoro-N-[2-[(3R)-3-(methoxymethyl)piperidin-1-yl]ethyl]benzamide
CID 124738268
N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-chloroaniline
CID 62557542
7-[3-(methoxymethyl)pyrrolidin-1-yl]heptan-1-amine
CID 64599167
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]prop-2-yn-1-amine
CID 64582811
N-(dicyclopropylmethyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 64583008
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-2-amine
CID 64568140
4-chloro-N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]aniline
CID 62888220
1-(3-chlorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpropan-1-amine
CID 64582381

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline?
The IUPAC name of 4-chloro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline (CID 64583608) is 4-chloro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline.
What is the SMILES notation for 4-chloro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline?
The canonical SMILES for 4-chloro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline is COCC1CCN(CCNc2ccc(Cl)cc2)C1.
What is the InChIKey of 4-chloro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline?
The InChIKey is URTUVEYAAOFYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-18-11-12-6-8-17(10-12)9-7-16-14-4-2-13(15)3-5-14/h2-5,12,16H,6-11H2,1H3.
What are the key properties of 4-chloro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline?
4-chloro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline has a molecular weight of 268.79 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline is sourced from PubChem (CID 64583608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).