[4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride

C13H19ClN2O2 — CID 119293249

IUPAC[4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride
SMILESCC1COCCN1C(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-10-9-17-7-6-15(10)13(16)12-4-2-11(8-14)3-5-12;/h2-5,10H,6-9,14H2,1H3;1H
InChIKeyLXXLOXKOLUUIBG-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.43
Rot. Bonds2

About [4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride

[4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride (PubChem CID 119293249) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride
PubChem CID119293249
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name[4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride
SMILESCC1COCCN1C(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-10-9-17-7-6-15(10)13(16)12-4-2-11(8-14)3-5-12;/h2-5,10H,6-9,14H2,1H3;1H
InChIKeyLXXLOXKOLUUIBG-UHFFFAOYSA-N
XLogP1.43
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 43611605
(3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 47168279
2-(4-chlorophenyl)-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110352615
(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 110292238
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 47174328
(6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 43429048
(3-methylmorpholin-4-yl)-(3-phenylphenyl)methanone
CID 110292242
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 110352618
1-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylpropyl)urea
CID 110614358
1-butan-2-yl-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110614359
1-(2,2-dimethylpropyl)-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110671803
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide
CID 110604977

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride (CID 119293249) is [4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride is CC1COCCN1C(=O)c1ccc(CN)cc1.Cl.
What is the InChIKey of [4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride?
The InChIKey is LXXLOXKOLUUIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-10-9-17-7-6-15(10)13(16)12-4-2-11(8-14)3-5-12;/h2-5,10H,6-9,14H2,1H3;1H.
What are the key properties of [4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride?
[4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119293249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).