2-(2-chlorophenyl)-2-(2-methylmorpholin-4-yl)ethanamine

C13H19ClN2O — CID 16788536

IUPAC2-(2-chlorophenyl)-2-(2-methylmorpholin-4-yl)ethanamine
SMILESCC1CN(C(CN)c2ccccc2Cl)CCO1
InChIInChI=1S/C13H19ClN2O/c1-10-9-16(6-7-17-10)13(8-15)11-4-2-3-5-12(11)14/h2-5,10,13H,6-9,15H2,1H3
InChIKeyNJQZAIVCQWSJIE-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.06
Rot. Bonds3

About 2-(2-chlorophenyl)-2-(2-methylmorpholin-4-yl)ethanamine

2-(2-chlorophenyl)-2-(2-methylmorpholin-4-yl)ethanamine (PubChem CID 16788536) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(2-methylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(2-methylmorpholin-4-yl)ethanamine
PubChem CID16788536
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-(2-chlorophenyl)-2-(2-methylmorpholin-4-yl)ethanamine
SMILESCC1CN(C(CN)c2ccccc2Cl)CCO1
InChIInChI=1S/C13H19ClN2O/c1-10-9-16(6-7-17-10)13(8-15)11-4-2-3-5-12(11)14/h2-5,10,13H,6-9,15H2,1H3
InChIKeyNJQZAIVCQWSJIE-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 114487903
2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 83089167
2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 16792080
2-(4-cyclopropylphenyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 79984860
2-(2-chlorophenyl)-2-(3-methylmorpholin-4-yl)ethanamine
CID 43541974
2-(2-bromophenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562548
2-(5-ethylthiophen-2-yl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 62345916
2-(2-methylmorpholin-4-yl)-2-pyrimidin-4-ylethanamine
CID 63986015
2-(4-tert-butylpiperazin-1-yl)-2-(2-chlorophenyl)ethanamine
CID 61429571
2-(2-methylmorpholin-4-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 66162994
2-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1,1,3,3-tetramethylguanidine
CID 111054439
(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanamine
CID 30118002

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(2-methylmorpholin-4-yl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-2-(2-methylmorpholin-4-yl)ethanamine (CID 16788536) is 2-(2-chlorophenyl)-2-(2-methylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(2-methylmorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-2-(2-methylmorpholin-4-yl)ethanamine is CC1CN(C(CN)c2ccccc2Cl)CCO1.
What is the InChIKey of 2-(2-chlorophenyl)-2-(2-methylmorpholin-4-yl)ethanamine?
The InChIKey is NJQZAIVCQWSJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10-9-16(6-7-17-10)13(8-15)11-4-2-3-5-12(11)14/h2-5,10,13H,6-9,15H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-2-(2-methylmorpholin-4-yl)ethanamine?
2-(2-chlorophenyl)-2-(2-methylmorpholin-4-yl)ethanamine has a molecular weight of 254.76 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(2-methylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 16788536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).