2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline

C14H21ClN2O — CID 62575700

IUPAC2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline
SMILESCC1CN(CCNc2ccccc2Cl)CC(C)O1
InChIInChI=1S/C14H21ClN2O/c1-11-9-17(10-12(2)18-11)8-7-16-14-6-4-3-5-13(14)15/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyJIGZSVRXQDTCAK-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.86
Rot. Bonds4

About 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline

2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline (PubChem CID 62575700) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline
PubChem CID62575700
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline
SMILESCC1CN(CCNc2ccccc2Cl)CC(C)O1
InChIInChI=1S/C14H21ClN2O/c1-11-9-17(10-12(2)18-11)8-7-16-14-6-4-3-5-13(14)15/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyJIGZSVRXQDTCAK-UHFFFAOYSA-N
XLogP2.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]naphthalen-1-amine
CID 95561109
2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573332
2-chloro-N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]aniline
CID 55089362
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-chloroaniline
CID 63502704
1-[2-(2-chloroanilino)ethyl]-N,N-dimethylpiperidin-4-amine
CID 55089751
1-[2-(2-chloroanilino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167572
2-chloro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 55090288
2-(2-chlorophenyl)sulfanyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide
CID 55831502
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-chloroaniline
CID 79924619
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 47114338
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,6-dimethylmorpholin-4-yl)-N-methylacetamide
CID 51170480
2-bromo-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline
CID 62573893

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline?
The IUPAC name of 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline (CID 62575700) is 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline.
What is the SMILES notation for 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline?
The canonical SMILES for 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline is CC1CN(CCNc2ccccc2Cl)CC(C)O1.
What is the InChIKey of 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline?
The InChIKey is JIGZSVRXQDTCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-11-9-17(10-12(2)18-11)8-7-16-14-6-4-3-5-13(14)15/h3-6,11-12,16H,7-10H2,1-2H3.
What are the key properties of 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline?
2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline has a molecular weight of 268.79 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline is sourced from PubChem (CID 62575700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).