2-[2-(aminomethyl)morpholin-4-yl]-6-chlorobenzamide

C12H16ClN3O2 — CID 114399438

IUPAC2-[2-(aminomethyl)morpholin-4-yl]-6-chlorobenzamide
SMILESNCC1CN(c2cccc(Cl)c2C(N)=O)CCO1
InChIInChI=1S/C12H16ClN3O2/c13-9-2-1-3-10(11(9)12(15)17)16-4-5-18-8(6-14)7-16/h1-3,8H,4-7,14H2,(H2,15,17)
InChIKeyMCQHYMSKESMZLH-UHFFFAOYSA-N
MW269.73 g/mol
LogP0.60
Rot. Bonds3

About 2-[2-(aminomethyl)morpholin-4-yl]-6-chlorobenzamide

2-[2-(aminomethyl)morpholin-4-yl]-6-chlorobenzamide (PubChem CID 114399438) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-[2-(aminomethyl)morpholin-4-yl]-6-chlorobenzamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)morpholin-4-yl]-6-chlorobenzamide
PubChem CID114399438
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-[2-(aminomethyl)morpholin-4-yl]-6-chlorobenzamide
SMILESNCC1CN(c2cccc(Cl)c2C(N)=O)CCO1
InChIInChI=1S/C12H16ClN3O2/c13-9-2-1-3-10(11(9)12(15)17)16-4-5-18-8(6-14)7-16/h1-3,8H,4-7,14H2,(H2,15,17)
InChIKeyMCQHYMSKESMZLH-UHFFFAOYSA-N
XLogP0.60
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-(2-ethylmorpholin-4-yl)benzoic acid
CID 43562848
4-[2-(aminomethyl)morpholin-4-yl]-2,6-dimethylpyridine-3-carboxamide
CID 114399300
[4-[2-(aminomethyl)-3-chlorophenyl]morpholin-2-yl]methanol
CID 81205346
2-chloro-6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide
CID 115314662
2-chloro-6-[3-(methylamino)piperidin-1-yl]benzamide
CID 55084464
2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide
CID 113284612
2-[2-(aminomethyl)morpholin-4-yl]pyridine-4-carboxamide
CID 114399474
[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]methanamine
CID 43122244
(2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207971
4-(3-chloro-2-methylphenyl)morpholine-2-carboxylic acid
CID 117008772
[4-(2,3-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398436
2-chloro-6-(2-methyl-1,4-oxazepan-4-yl)benzenecarboximidamide
CID 62972678

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]-6-chlorobenzamide?
The IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]-6-chlorobenzamide (CID 114399438) is 2-[2-(aminomethyl)morpholin-4-yl]-6-chlorobenzamide.
What is the SMILES notation for 2-[2-(aminomethyl)morpholin-4-yl]-6-chlorobenzamide?
The canonical SMILES for 2-[2-(aminomethyl)morpholin-4-yl]-6-chlorobenzamide is NCC1CN(c2cccc(Cl)c2C(N)=O)CCO1.
What is the InChIKey of 2-[2-(aminomethyl)morpholin-4-yl]-6-chlorobenzamide?
The InChIKey is MCQHYMSKESMZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-9-2-1-3-10(11(9)12(15)17)16-4-5-18-8(6-14)7-16/h1-3,8H,4-7,14H2,(H2,15,17).
What are the key properties of 2-[2-(aminomethyl)morpholin-4-yl]-6-chlorobenzamide?
2-[2-(aminomethyl)morpholin-4-yl]-6-chlorobenzamide has a molecular weight of 269.73 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)morpholin-4-yl]-6-chlorobenzamide is sourced from PubChem (CID 114399438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).