4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline

C13H19ClN2O — CID 62574452

IUPAC4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline
SMILESCC1CN(CCNc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C13H19ClN2O/c1-11-10-16(8-9-17-11)7-6-15-13-4-2-12(14)3-5-13/h2-5,11,15H,6-10H2,1H3
InChIKeyWUFLPQPEVCCSEJ-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.47
Rot. Bonds4

About 4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline

4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline (PubChem CID 62574452) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline
PubChem CID62574452
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline
SMILESCC1CN(CCNc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C13H19ClN2O/c1-11-10-16(8-9-17-11)7-6-15-13-4-2-12(14)3-5-13/h2-5,11,15H,6-10H2,1H3
InChIKeyWUFLPQPEVCCSEJ-UHFFFAOYSA-N
XLogP2.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
2-bromo-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline
CID 62573893
4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573511
4-chloro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline
CID 64583608
4-chloro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 63627196
N-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]aniline
CID 62966555
4-chloro-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]aniline
CID 103503461
N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-chloroaniline
CID 62557542
4-chloro-N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]aniline
CID 62888220
2-(2-methylmorpholin-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62575708
4-chloro-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide
CID 112981476
1-(furan-2-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine
CID 62573349

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline?
The IUPAC name of 4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline (CID 62574452) is 4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline.
What is the SMILES notation for 4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline?
The canonical SMILES for 4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline is CC1CN(CCNc2ccc(Cl)cc2)CCO1.
What is the InChIKey of 4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline?
The InChIKey is WUFLPQPEVCCSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-11-10-16(8-9-17-11)7-6-15-13-4-2-12(14)3-5-13/h2-5,11,15H,6-10H2,1H3.
What are the key properties of 4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline?
4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline has a molecular weight of 254.76 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline is sourced from PubChem (CID 62574452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).