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

C13H17ClN2O2 — CID 114398222

IUPAC[2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone
SMILESCc1ccc(Cl)cc1C(=O)N1CCOC(CN)C1
InChIInChI=1S/C13H17ClN2O2/c1-9-2-3-10(14)6-12(9)13(17)16-4-5-18-11(7-15)8-16/h2-3,6,11H,4-5,7-8,15H2,1H3
InChIKeyVKMSWKXMKKVDQA-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.45
Rot. Bonds2

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

[2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone (PubChem CID 114398222) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is [2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone
PubChem CID114398222
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name[2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone
SMILESCc1ccc(Cl)cc1C(=O)N1CCOC(CN)C1
InChIInChI=1S/C13H17ClN2O2/c1-9-2-3-10(14)6-12(9)13(17)16-4-5-18-11(7-15)8-16/h2-3,6,11H,4-5,7-8,15H2,1H3
InChIKeyVKMSWKXMKKVDQA-UHFFFAOYSA-N
XLogP1.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
(5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 60733638
[2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone
CID 81210817
methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate
CID 115533261
[(2S)-2-(aminomethyl)morpholin-4-yl]-(2-fluorophenyl)methanone
CID 42252423
[2-(aminomethyl)morpholin-4-yl]-(2-bromo-3-methylphenyl)methanone
CID 107983238
[2-(aminomethyl)morpholin-4-yl]-(2,4,6-trimethylphenyl)methanone
CID 61336812
[5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone
CID 62169229
[4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone
CID 82883937
[2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone
CID 61339139
2-[4-(5-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66420781
[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2,5-dimethylphenyl)methanone
CID 45235539

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone?
The IUPAC name of [2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone (CID 114398222) is [2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone is Cc1ccc(Cl)cc1C(=O)N1CCOC(CN)C1.
What is the InChIKey of [2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone?
The InChIKey is VKMSWKXMKKVDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9-2-3-10(14)6-12(9)13(17)16-4-5-18-11(7-15)8-16/h2-3,6,11H,4-5,7-8,15H2,1H3.
What are the key properties of [2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone?
[2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone has a molecular weight of 268.74 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone is sourced from PubChem (CID 114398222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).