[4-(5-chloro-2-methylphenyl)-6-methylmorpholin-2-yl]methanamine

C13H19ClN2O — CID 82299005

IUPAC[4-(5-chloro-2-methylphenyl)-6-methylmorpholin-2-yl]methanamine
SMILESCc1ccc(Cl)cc1N1CC(C)OC(CN)C1
InChIInChI=1S/C13H19ClN2O/c1-9-3-4-11(14)5-13(9)16-7-10(2)17-12(6-15)8-16/h3-5,10,12H,6-8,15H2,1-2H3
InChIKeyAVAZJKJRHQAZDU-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.20
Rot. Bonds2

About [4-(5-chloro-2-methylphenyl)-6-methylmorpholin-2-yl]methanamine

[4-(5-chloro-2-methylphenyl)-6-methylmorpholin-2-yl]methanamine (PubChem CID 82299005) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is [4-(5-chloro-2-methylphenyl)-6-methylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(5-chloro-2-methylphenyl)-6-methylmorpholin-2-yl]methanamine
PubChem CID82299005
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name[4-(5-chloro-2-methylphenyl)-6-methylmorpholin-2-yl]methanamine
SMILESCc1ccc(Cl)cc1N1CC(C)OC(CN)C1
InChIInChI=1S/C13H19ClN2O/c1-9-3-4-11(14)5-13(9)16-7-10(2)17-12(6-15)8-16/h3-5,10,12H,6-8,15H2,1-2H3
InChIKeyAVAZJKJRHQAZDU-UHFFFAOYSA-N
XLogP2.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-(7-chloroquinolin-4-yl)-6-methylmorpholin-2-yl]methanamine
CID 102938625
[4-(2,4-difluorophenyl)-6-methylmorpholin-2-yl]methanamine
CID 82293325
[6-methyl-4-(2,4,6-trimethylphenyl)morpholin-2-yl]methanamine
CID 82296607
2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
CID 104980221
2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine
CID 82299003
4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine
CID 114846280
5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline
CID 28820003
1-(5-chloro-2-methylphenyl)-N-methylazetidin-3-amine
CID 117002914
[4-(5-bromo-3-chloro-2-pyridinyl)-6-methylmorpholin-2-yl]methanamine
CID 103584271
4-(7-chloroquinolin-4-yl)-2-ethyl-6-methylmorpholine
CID 133299117
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 17394355
[4-(6-ethyl-2-methylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanamine
CID 102938660

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-methylphenyl)-6-methylmorpholin-2-yl]methanamine?
The IUPAC name of [4-(5-chloro-2-methylphenyl)-6-methylmorpholin-2-yl]methanamine (CID 82299005) is [4-(5-chloro-2-methylphenyl)-6-methylmorpholin-2-yl]methanamine.
What is the SMILES notation for [4-(5-chloro-2-methylphenyl)-6-methylmorpholin-2-yl]methanamine?
The canonical SMILES for [4-(5-chloro-2-methylphenyl)-6-methylmorpholin-2-yl]methanamine is Cc1ccc(Cl)cc1N1CC(C)OC(CN)C1.
What is the InChIKey of [4-(5-chloro-2-methylphenyl)-6-methylmorpholin-2-yl]methanamine?
The InChIKey is AVAZJKJRHQAZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9-3-4-11(14)5-13(9)16-7-10(2)17-12(6-15)8-16/h3-5,10,12H,6-8,15H2,1-2H3.
What are the key properties of [4-(5-chloro-2-methylphenyl)-6-methylmorpholin-2-yl]methanamine?
[4-(5-chloro-2-methylphenyl)-6-methylmorpholin-2-yl]methanamine has a molecular weight of 254.76 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-methylphenyl)-6-methylmorpholin-2-yl]methanamine is sourced from PubChem (CID 82299005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).