2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine

C13H19ClN2O — CID 82299003

IUPAC2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine
SMILESCc1ccc(Cl)cc1N1CCOC(CCN)C1
InChIInChI=1S/C13H19ClN2O/c1-10-2-3-11(14)8-13(10)16-6-7-17-12(9-16)4-5-15/h2-3,8,12H,4-7,9,15H2,1H3
InChIKeyFDAMIYUSZPSNDP-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.20
Rot. Bonds3

About 2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine

2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine (PubChem CID 82299003) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine
PubChem CID82299003
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine
SMILESCc1ccc(Cl)cc1N1CCOC(CCN)C1
InChIInChI=1S/C13H19ClN2O/c1-10-2-3-11(14)8-13(10)16-6-7-17-12(9-16)4-5-15/h2-3,8,12H,4-7,9,15H2,1H3
InChIKeyFDAMIYUSZPSNDP-UHFFFAOYSA-N
XLogP2.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methylphenyl)morpholine-2-carbonitrile
CID 117009748
2-[4-(3-chloro-4-fluorophenyl)morpholin-2-yl]ethanamine
CID 82300838
4-[5-chloro-2-(chloromethyl)phenyl]-2-ethylmorpholine
CID 114846398
2-[4-(4-bromo-3-methylphenyl)morpholin-2-yl]ethanamine
CID 82308317
[4-(5-chloro-2-methylphenyl)-6-methylmorpholin-2-yl]methanamine
CID 82299005
4-chloro-2-(2-methylmorpholin-4-yl)aniline
CID 115468437
1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine
CID 60862449
[4-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol
CID 114218548
[4-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]morpholin-2-yl]methanol
CID 114852870
1-(5-chloro-2-methylphenyl)-N-methylazetidin-3-amine
CID 117002914
3-[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002604
2-[2-(2-ethylmorpholin-4-yl)-5-methylphenyl]ethanamine
CID 114055302

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine?
The IUPAC name of 2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine (CID 82299003) is 2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine is Cc1ccc(Cl)cc1N1CCOC(CCN)C1.
What is the InChIKey of 2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine?
The InChIKey is FDAMIYUSZPSNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10-2-3-11(14)8-13(10)16-6-7-17-12(9-16)4-5-15/h2-3,8,12H,4-7,9,15H2,1H3.
What are the key properties of 2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine?
2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine has a molecular weight of 254.76 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine is sourced from PubChem (CID 82299003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).