(2S)-4-[(4-chloro-3-methylphenyl)methyl]-N-methylmorpholin-2-amine

C13H19ClN2O — CID 68963378

IUPAC(2S)-4-[(4-chloro-3-methylphenyl)methyl]-N-methylmorpholin-2-amine
SMILESCN[C@@H]1CN(Cc2ccc(Cl)c(C)c2)CCO1
InChIInChI=1S/C13H19ClN2O/c1-10-7-11(3-4-12(10)14)8-16-5-6-17-13(9-16)15-2/h3-4,7,13,15H,5-6,8-9H2,1-2H3/t13-/m0/s1
InChIKeyVSASULARQUFDCU-ZDUSSCGKSA-N
MW254.76 g/mol
LogP2.03
Rot. Bonds3

About (2S)-4-[(4-chloro-3-methylphenyl)methyl]-N-methylmorpholin-2-amine

(2S)-4-[(4-chloro-3-methylphenyl)methyl]-N-methylmorpholin-2-amine (PubChem CID 68963378) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is (2S)-4-[(4-chloro-3-methylphenyl)methyl]-N-methylmorpholin-2-amine.

Molecular Properties

Compound Name(2S)-4-[(4-chloro-3-methylphenyl)methyl]-N-methylmorpholin-2-amine
PubChem CID68963378
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name(2S)-4-[(4-chloro-3-methylphenyl)methyl]-N-methylmorpholin-2-amine
SMILESCN[C@@H]1CN(Cc2ccc(Cl)c(C)c2)CCO1
InChIInChI=1S/C13H19ClN2O/c1-10-7-11(3-4-12(10)14)8-16-5-6-17-13(9-16)15-2/h3-4,7,13,15H,5-6,8-9H2,1-2H3/t13-/m0/s1
InChIKeyVSASULARQUFDCU-ZDUSSCGKSA-N
XLogP2.03
TPSA24.50 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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-N-methylmethanamine;ethane
CID 143608551
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
4-[2-[[(2S)-4-[(4-chloro-3-methylphenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]cyclopenta-1,4-diene-1-carboxylic acid
CID 142811315
1-[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]ethanamine
CID 81490139
2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine
CID 103041391
methyl 4-[(3,4-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 78926417
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl] N-methylcarbamate;hydrochloride
CID 23089205
(2S)-4-[(3,4-dichlorophenyl)methyl]-2-ethenylmorpholine
CID 102352345
(2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 127031497
1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-one
CID 59534346
tert-butyl N-[[(2S)-4-[(3-chloro-4-methylphenyl)methyl]morpholin-2-yl]methyl]carbamate;ethane
CID 143612680

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(4-chloro-3-methylphenyl)methyl]-N-methylmorpholin-2-amine?
The IUPAC name of (2S)-4-[(4-chloro-3-methylphenyl)methyl]-N-methylmorpholin-2-amine (CID 68963378) is (2S)-4-[(4-chloro-3-methylphenyl)methyl]-N-methylmorpholin-2-amine.
What is the SMILES notation for (2S)-4-[(4-chloro-3-methylphenyl)methyl]-N-methylmorpholin-2-amine?
The canonical SMILES for (2S)-4-[(4-chloro-3-methylphenyl)methyl]-N-methylmorpholin-2-amine is CN[C@@H]1CN(Cc2ccc(Cl)c(C)c2)CCO1.
What is the InChIKey of (2S)-4-[(4-chloro-3-methylphenyl)methyl]-N-methylmorpholin-2-amine?
The InChIKey is VSASULARQUFDCU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10-7-11(3-4-12(10)14)8-16-5-6-17-13(9-16)15-2/h3-4,7,13,15H,5-6,8-9H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-4-[(4-chloro-3-methylphenyl)methyl]-N-methylmorpholin-2-amine?
(2S)-4-[(4-chloro-3-methylphenyl)methyl]-N-methylmorpholin-2-amine has a molecular weight of 254.76 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(4-chloro-3-methylphenyl)methyl]-N-methylmorpholin-2-amine is sourced from PubChem (CID 68963378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).