2-(3-chloro-2-methylanilino)-1,1-dimethylguanidine

C10H15ClN4 — CID 10036665

IUPAC2-(3-chloro-2-methylanilino)-1,1-dimethylguanidine
SMILESCc1c(Cl)cccc1N/N=C(\N)N(C)C
InChIInChI=1S/C10H15ClN4/c1-7-8(11)5-4-6-9(7)13-14-10(12)15(2)3/h4-6,13H,1-3H3,(H2,12,14)
InChIKeyPTEZIGIEEFRWOI-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.85
Rot. Bonds2

About 2-(3-chloro-2-methylanilino)-1,1-dimethylguanidine

2-(3-chloro-2-methylanilino)-1,1-dimethylguanidine (PubChem CID 10036665) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-1,1-dimethylguanidine
PubChem CID10036665
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name2-(3-chloro-2-methylanilino)-1,1-dimethylguanidine
SMILESCc1c(Cl)cccc1N/N=C(\N)N(C)C
InChIInChI=1S/C10H15ClN4/c1-7-8(11)5-4-6-9(7)13-14-10(12)15(2)3/h4-6,13H,1-3H3,(H2,12,14)
InChIKeyPTEZIGIEEFRWOI-UHFFFAOYSA-N
XLogP1.85
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.85
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(3-chloro-2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
CID 6223114
CID 59528238
CID 59528238
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
2-chloro-6-(3-chloro-2-methylanilino)benzenecarbothioamide
CID 62501422
(1Z)-1-[(3-chloro-2-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one
CID 6537731
2-(3-chloro-2-methylanilino)benzenecarbothioamide
CID 29053926
2-(4-aminoanilino)-1,1-dimethylguanidine
CID 54073540
methyl N-(3-chloro-2-methylphenyl)carbamodithioate
CID 12754788
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
3-chloro-2-methyl-N-prop-2-ynylaniline;hydrochloride
CID 45156434
3-amino-N-(3-chloro-2-methylphenyl)-3-hydroxyimino-2-methylpropanamide
CID 76926908
4-(3-chloro-2-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062335

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-1,1-dimethylguanidine?
The IUPAC name of 2-(3-chloro-2-methylanilino)-1,1-dimethylguanidine (CID 10036665) is 2-(3-chloro-2-methylanilino)-1,1-dimethylguanidine.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-1,1-dimethylguanidine?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-1,1-dimethylguanidine is Cc1c(Cl)cccc1N/N=C(\N)N(C)C.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-1,1-dimethylguanidine?
The InChIKey is PTEZIGIEEFRWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-7-8(11)5-4-6-9(7)13-14-10(12)15(2)3/h4-6,13H,1-3H3,(H2,12,14).
What are the key properties of 2-(3-chloro-2-methylanilino)-1,1-dimethylguanidine?
2-(3-chloro-2-methylanilino)-1,1-dimethylguanidine has a molecular weight of 226.71 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylanilino)-1,1-dimethylguanidine is sourced from PubChem (CID 10036665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).