2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide

C14H22ClN3O — CID 55180801

IUPAC2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N(CCOC)C(C)CC
InChIInChI=1S/C14H22ClN3O/c1-4-10(2)18(7-8-19-3)13-9-11(15)5-6-12(13)14(16)17/h5-6,9-10H,4,7-8H2,1-3H3,(H3,16,17)
InChIKeyLTBTXYJGUCADAV-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.88
Rot. Bonds7

About 2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide

2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide (PubChem CID 55180801) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide
PubChem CID55180801
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N(CCOC)C(C)CC
InChIInChI=1S/C14H22ClN3O/c1-4-10(2)18(7-8-19-3)13-9-11(15)5-6-12(13)14(16)17/h5-6,9-10H,4,7-8H2,1-3H3,(H3,16,17)
InChIKeyLTBTXYJGUCADAV-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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

4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]benzenecarboximidamide
CID 63092339
4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide
CID 55180610
4-chloro-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide
CID 63094375
2-[butan-2-yl(methyl)amino]-5-chlorobenzenecarboximidamide
CID 62493913
4-chloro-2-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552195
2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide
CID 82939011
2-chloro-4-[2-methoxyethyl(propan-2-yl)amino]benzenecarboximidamide
CID 82950924
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide
CID 81299918
2-[2-methoxyethyl(pentan-3-yl)amino]-5-methylbenzenecarboximidamide
CID 107930430
2-butan-2-yloxy-4-chlorobenzenecarboximidamide
CID 63094735
2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide
CID 55004124
5-[butan-2-yl(2-methoxyethyl)amino]pyridine-2-carboximidamide
CID 115489592

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide?
The IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide (CID 55180801) is 2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide.
What is the SMILES notation for 2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide?
The canonical SMILES for 2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1N(CCOC)C(C)CC.
What is the InChIKey of 2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide?
The InChIKey is LTBTXYJGUCADAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-10(2)18(7-8-19-3)13-9-11(15)5-6-12(13)14(16)17/h5-6,9-10H,4,7-8H2,1-3H3,(H3,16,17).
What are the key properties of 2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide?
2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide has a molecular weight of 283.80 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide is sourced from PubChem (CID 55180801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).