4-chloro-N-(2-morpholin-4-ylethyl)aniline

C12H17ClN2O — CID 28580807

IUPAC4-chloro-N-(2-morpholin-4-ylethyl)aniline
SMILESClc1ccc(NCCN2CCOCC2)cc1
InChIInChI=1S/C12H17ClN2O/c13-11-1-3-12(4-2-11)14-5-6-15-7-9-16-10-8-15/h1-4,14H,5-10H2
InChIKeyIQBKKLHTUHZNAA-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.08
Rot. Bonds4

About 4-chloro-N-(2-morpholin-4-ylethyl)aniline

4-chloro-N-(2-morpholin-4-ylethyl)aniline (PubChem CID 28580807) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-chloro-N-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(2-morpholin-4-ylethyl)aniline
PubChem CID28580807
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-chloro-N-(2-morpholin-4-ylethyl)aniline
SMILESClc1ccc(NCCN2CCOCC2)cc1
InChIInChI=1S/C12H17ClN2O/c13-11-1-3-12(4-2-11)14-5-6-15-7-9-16-10-8-15/h1-4,14H,5-10H2
InChIKeyIQBKKLHTUHZNAA-UHFFFAOYSA-N
XLogP2.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide
CID 112981476
4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573511
2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 1095343
3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493
4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 60679405
4-N-(4-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 156564066
3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28583324
2-(4-chlorophenyl)-4-(2-morpholin-4-ylethylamino)benzenesulfonamide
CID 70002142
4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline
CID 62574452
N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-chloroaniline
CID 62557542
4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 65437336
4-chloro-N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]aniline
CID 62888220

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of 4-chloro-N-(2-morpholin-4-ylethyl)aniline (CID 28580807) is 4-chloro-N-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for 4-chloro-N-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for 4-chloro-N-(2-morpholin-4-ylethyl)aniline is Clc1ccc(NCCN2CCOCC2)cc1.
What is the InChIKey of 4-chloro-N-(2-morpholin-4-ylethyl)aniline?
The InChIKey is IQBKKLHTUHZNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-11-1-3-12(4-2-11)14-5-6-15-7-9-16-10-8-15/h1-4,14H,5-10H2.
What are the key properties of 4-chloro-N-(2-morpholin-4-ylethyl)aniline?
4-chloro-N-(2-morpholin-4-ylethyl)aniline has a molecular weight of 240.73 g/mol, XLogP of 2.08, 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-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 28580807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).