4-chloro-2-[cyclopropyl(ethyl)amino]benzenecarboximidamide

C12H16ClN3 — CID 63093350

IUPAC4-chloro-2-[cyclopropyl(ethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N(CC)C1CC1
InChIInChI=1S/C12H16ClN3/c1-2-16(9-4-5-9)11-7-8(13)3-6-10(11)12(14)15/h3,6-7,9H,2,4-5H2,1H3,(H3,14,15)
InChIKeyQUYIFRHUJOBKDN-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.61
Rot. Bonds4

About 4-chloro-2-[cyclopropyl(ethyl)amino]benzenecarboximidamide

4-chloro-2-[cyclopropyl(ethyl)amino]benzenecarboximidamide (PubChem CID 63093350) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 4-chloro-2-[cyclopropyl(ethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-[cyclopropyl(ethyl)amino]benzenecarboximidamide
PubChem CID63093350
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name4-chloro-2-[cyclopropyl(ethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N(CC)C1CC1
InChIInChI=1S/C12H16ClN3/c1-2-16(9-4-5-9)11-7-8(13)3-6-10(11)12(14)15/h3,6-7,9H,2,4-5H2,1H3,(H3,14,15)
InChIKeyQUYIFRHUJOBKDN-UHFFFAOYSA-N
XLogP2.61
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide
CID 63092670
4-chloro-2-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552195
2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide
CID 82939011
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-chlorobenzamide
CID 63081415
4-bromo-2-[cyclopropyl(2-methylpropyl)amino]benzenecarboximidamide
CID 114904512
4-chloro-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide
CID 63094375
5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide
CID 62494113
4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200134
4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarboximidamide
CID 63093863
2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
CID 102863021
4-chloro-2-(ethylamino)benzenecarboximidamide
CID 63094553
2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide
CID 55180801

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[cyclopropyl(ethyl)amino]benzenecarboximidamide?
The IUPAC name of 4-chloro-2-[cyclopropyl(ethyl)amino]benzenecarboximidamide (CID 63093350) is 4-chloro-2-[cyclopropyl(ethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-[cyclopropyl(ethyl)amino]benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-[cyclopropyl(ethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1N(CC)C1CC1.
What is the InChIKey of 4-chloro-2-[cyclopropyl(ethyl)amino]benzenecarboximidamide?
The InChIKey is QUYIFRHUJOBKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-2-16(9-4-5-9)11-7-8(13)3-6-10(11)12(14)15/h3,6-7,9H,2,4-5H2,1H3,(H3,14,15).
What are the key properties of 4-chloro-2-[cyclopropyl(ethyl)amino]benzenecarboximidamide?
4-chloro-2-[cyclopropyl(ethyl)amino]benzenecarboximidamide has a molecular weight of 237.73 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[cyclopropyl(ethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 63093350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).