4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide

C14H22ClN3O — CID 55180610

IUPAC4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N(CCOC)CC(C)C
InChIInChI=1S/C14H22ClN3O/c1-10(2)9-18(6-7-19-3)13-8-11(15)4-5-12(13)14(16)17/h4-5,8,10H,6-7,9H2,1-3H3,(H3,16,17)
InChIKeyRGAZCNZIANXYBU-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.73
Rot. Bonds7

About 4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide

4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide (PubChem CID 55180610) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide
PubChem CID55180610
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N(CCOC)CC(C)C
InChIInChI=1S/C14H22ClN3O/c1-10(2)9-18(6-7-19-3)13-8-11(15)4-5-12(13)14(16)17/h4-5,8,10H,6-7,9H2,1-3H3,(H3,16,17)
InChIKeyRGAZCNZIANXYBU-UHFFFAOYSA-N
XLogP2.73
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.73
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

2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide
CID 55180801
2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide
CID 62494094
2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide
CID 82939011
4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]benzenecarboximidamide
CID 63092339
4-chloro-2-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552195
5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114849511
4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide
CID 55152073
4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide
CID 63092670
N'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide
CID 62308822
2-chloro-4-[2-methoxyethyl(propan-2-yl)amino]benzenecarboximidamide
CID 82950924
4-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76985058
4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 65486843

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide?
The IUPAC name of 4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide (CID 55180610) is 4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1N(CCOC)CC(C)C.
What is the InChIKey of 4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide?
The InChIKey is RGAZCNZIANXYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-10(2)9-18(6-7-19-3)13-8-11(15)4-5-12(13)14(16)17/h4-5,8,10H,6-7,9H2,1-3H3,(H3,16,17).
What are the key properties of 4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide?
4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide has a molecular weight of 283.80 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide is sourced from PubChem (CID 55180610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).