3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]benzenecarboximidamide

C14H23ClN4 — CID 103189206

IUPAC3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC)C(C)CN(C)C)c(Cl)c1
InChIInChI=1S/C14H23ClN4/c1-5-19(10(2)9-18(3)4)13-7-6-11(14(16)17)8-12(13)15/h6-8,10H,5,9H2,1-4H3,(H3,16,17)
InChIKeyXYKOUFLFTDZUDP-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.40
Rot. Bonds6

About 3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]benzenecarboximidamide

3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]benzenecarboximidamide (PubChem CID 103189206) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]benzenecarboximidamide
PubChem CID103189206
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC)C(C)CN(C)C)c(Cl)c1
InChIInChI=1S/C14H23ClN4/c1-5-19(10(2)9-18(3)4)13-7-6-11(14(16)17)8-12(13)15/h6-8,10H,5,9H2,1-4H3,(H3,16,17)
InChIKeyXYKOUFLFTDZUDP-UHFFFAOYSA-N
XLogP2.40
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.40
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-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]benzenecarbothioamide
CID 103188991
3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzenecarboximidamide
CID 63087227
(1R)-1-[3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanol
CID 103189805
4-[butan-2-yl(ethyl)amino]-3-fluorobenzenecarboximidamide
CID 43658301
3-chloro-4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63692984
3-chloro-4-[cyclopropylmethyl(methyl)amino]benzenecarboximidamide
CID 63088227
3-chloro-4-[[ethyl(methyl)amino]methyl]benzenecarboximidamide
CID 102667744
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide
CID 103189217
3-chloro-4-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
CID 63087384
4-[butan-2-yl(methyl)amino]-3-methylbenzenecarboximidamide
CID 60929832
3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 63087220
3-chloro-4-[2-(2-hydroxyethoxy)ethyl-methylamino]benzenecarboximidamide
CID 114243127

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]benzenecarboximidamide?
The IUPAC name of 3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]benzenecarboximidamide (CID 103189206) is 3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]benzenecarboximidamide?
The canonical SMILES for 3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(CC)C(C)CN(C)C)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]benzenecarboximidamide?
The InChIKey is XYKOUFLFTDZUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-5-19(10(2)9-18(3)4)13-7-6-11(14(16)17)8-12(13)15/h6-8,10H,5,9H2,1-4H3,(H3,16,17).
What are the key properties of 3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]benzenecarboximidamide?
3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]benzenecarboximidamide has a molecular weight of 282.82 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]benzenecarboximidamide is sourced from PubChem (CID 103189206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).