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

C13H19ClN2O — CID 28568493

IUPAC3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
SMILESCc1ccc(NCCN2CCOCC2)cc1Cl
InChIInChI=1S/C13H19ClN2O/c1-11-2-3-12(10-13(11)14)15-4-5-16-6-8-17-9-7-16/h2-3,10,15H,4-9H2,1H3
InChIKeyZGUDGKUEZJLCHN-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.39
Rot. Bonds4

About 3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline

3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline (PubChem CID 28568493) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
PubChem CID28568493
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
SMILESCc1ccc(NCCN2CCOCC2)cc1Cl
InChIInChI=1S/C13H19ClN2O/c1-11-2-3-12(10-13(11)14)15-4-5-16-6-8-17-9-7-16/h2-3,10,15H,4-9H2,1H3
InChIKeyZGUDGKUEZJLCHN-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28583324
3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline
CID 54807377
3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 39420305
4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid
CID 81282507
4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 65437336
3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline
CID 20619663
3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82089741
N-(3,4-dichlorophenyl)-4-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109207703
3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016616
2,4,5-trimethyl-N-(2-morpholin-4-ylethyl)aniline
CID 82498851

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of 3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline (CID 28568493) is 3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for 3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for 3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline is Cc1ccc(NCCN2CCOCC2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline?
The InChIKey is ZGUDGKUEZJLCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-11-2-3-12(10-13(11)14)15-4-5-16-6-8-17-9-7-16/h2-3,10,15H,4-9H2,1H3.
What are the key properties of 3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline?
3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline has a molecular weight of 254.76 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 28568493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).