5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide

C14H20ClN3O — CID 62493777

IUPAC5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(C)CC1CCCCO1
InChIInChI=1S/C14H20ClN3O/c1-18(9-11-4-2-3-7-19-11)13-6-5-10(15)8-12(13)14(16)17/h5-6,8,11H,2-4,7,9H2,1H3,(H3,16,17)
InChIKeyLQTBTPGLCAWTGF-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.63
Rot. Bonds4

About 5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide

5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide (PubChem CID 62493777) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide
PubChem CID62493777
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(C)CC1CCCCO1
InChIInChI=1S/C14H20ClN3O/c1-18(9-11-4-2-3-7-19-11)13-6-5-10(15)8-12(13)14(16)17/h5-6,8,11H,2-4,7,9H2,1H3,(H3,16,17)
InChIKeyLQTBTPGLCAWTGF-UHFFFAOYSA-N
XLogP2.63
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 61432084
4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 55057250
4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline
CID 114848966
5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide
CID 62493754
5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
CID 114949729
5-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]benzenecarboximidamide
CID 82739406
4-(2-aminoethyl)-2-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 81165783
3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide
CID 80513387
4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 55152264
5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 55227730
4-chloro-2-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114848960
5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide
CID 62494096

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide?
The IUPAC name of 5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide (CID 62493777) is 5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1N(C)CC1CCCCO1.
What is the InChIKey of 5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide?
The InChIKey is LQTBTPGLCAWTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-18(9-11-4-2-3-7-19-11)13-6-5-10(15)8-12(13)14(16)17/h5-6,8,11H,2-4,7,9H2,1H3,(H3,16,17).
What are the key properties of 5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide?
5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide has a molecular weight of 281.79 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 62493777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).