1-amino-3-(2-chloro-6-methylphenyl)-2-cyclopropylguanidine

C11H15ClN4 — CID 116515719

IUPAC1-amino-3-(2-chloro-6-methylphenyl)-2-cyclopropylguanidine
SMILESCc1cccc(Cl)c1N/C(=N/C1CC1)NN
InChIInChI=1S/C11H15ClN4/c1-7-3-2-4-9(12)10(7)15-11(16-13)14-8-5-6-8/h2-4,8H,5-6,13H2,1H3,(H2,14,15,16)
InChIKeyFDTMBCGYDZZBEF-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.04
Rot. Bonds2

About 1-amino-3-(2-chloro-6-methylphenyl)-2-cyclopropylguanidine

1-amino-3-(2-chloro-6-methylphenyl)-2-cyclopropylguanidine (PubChem CID 116515719) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is 1-amino-3-(2-chloro-6-methylphenyl)-2-cyclopropylguanidine.

Molecular Properties

Compound Name1-amino-3-(2-chloro-6-methylphenyl)-2-cyclopropylguanidine
PubChem CID116515719
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC Name1-amino-3-(2-chloro-6-methylphenyl)-2-cyclopropylguanidine
SMILESCc1cccc(Cl)c1N/C(=N/C1CC1)NN
InChIInChI=1S/C11H15ClN4/c1-7-3-2-4-9(12)10(7)15-11(16-13)14-8-5-6-8/h2-4,8H,5-6,13H2,1H3,(H2,14,15,16)
InChIKeyFDTMBCGYDZZBEF-UHFFFAOYSA-N
XLogP2.04
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-(2-chloro-6-fluorophenyl)-2-cyclopropylguanidine
CID 116516518
1-amino-2-cyclohexyl-3-(2,6-dichlorophenyl)guanidine
CID 116515436
1-amino-2-cyclopropyl-3-(2-ethyl-6-methylphenyl)guanidine
CID 116511457
1-amino-3-(2-chloro-6-methylphenyl)-2-methylguanidine
CID 116510963
1-amino-3-(3-chloro-2-methylphenyl)-2-cyclopentylguanidine
CID 116511707
1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine
CID 116511634
1-(2-chloro-6-methylphenyl)-3-cyclopropylthiourea
CID 116509252
1-amino-3-(5-bromo-2-methylphenyl)-2-cyclopropylguanidine
CID 116513464
1-amino-3-(3-chloro-4-fluorophenyl)-2-cyclopropylguanidine
CID 116511301
1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine
CID 116512584
N-amino-2,3-dichloro-N'-cyclopropylbenzenecarboximidamide
CID 61360486
1-amino-2-cyclopropyl-3-(4-pyrrolidin-1-ylphenyl)guanidine
CID 116514981

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-chloro-6-methylphenyl)-2-cyclopropylguanidine?
The IUPAC name of 1-amino-3-(2-chloro-6-methylphenyl)-2-cyclopropylguanidine (CID 116515719) is 1-amino-3-(2-chloro-6-methylphenyl)-2-cyclopropylguanidine.
What is the SMILES notation for 1-amino-3-(2-chloro-6-methylphenyl)-2-cyclopropylguanidine?
The canonical SMILES for 1-amino-3-(2-chloro-6-methylphenyl)-2-cyclopropylguanidine is Cc1cccc(Cl)c1N/C(=N/C1CC1)NN.
What is the InChIKey of 1-amino-3-(2-chloro-6-methylphenyl)-2-cyclopropylguanidine?
The InChIKey is FDTMBCGYDZZBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4/c1-7-3-2-4-9(12)10(7)15-11(16-13)14-8-5-6-8/h2-4,8H,5-6,13H2,1H3,(H2,14,15,16).
What are the key properties of 1-amino-3-(2-chloro-6-methylphenyl)-2-cyclopropylguanidine?
1-amino-3-(2-chloro-6-methylphenyl)-2-cyclopropylguanidine has a molecular weight of 238.72 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-chloro-6-methylphenyl)-2-cyclopropylguanidine is sourced from PubChem (CID 116515719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).