1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine;hydrochloride

C21H24ClN3 — CID 19063251

IUPAC1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine;hydrochloride
SMILESCC(C)c1ccccc1/N=C(\N)N(C)c1cccc2ccccc12.Cl
InChIInChI=1S/C21H23N3.ClH/c1-15(2)17-11-6-7-13-19(17)23-21(22)24(3)20-14-8-10-16-9-4-5-12-18(16)20;/h4-15H,1-3H3,(H2,22,23);1H
InChIKeyQAHQSTKMMYHZAR-UHFFFAOYSA-N
MW353.90 g/mol
LogP5.47
Rot. Bonds3

About 1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine;hydrochloride

1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine;hydrochloride (PubChem CID 19063251) has the molecular formula C21H24ClN3 and a molecular weight of 353.90 g/mol. Its IUPAC name is 1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine;hydrochloride.

Molecular Properties

Compound Name1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine;hydrochloride
PubChem CID19063251
Molecular FormulaC21H24ClN3
Molecular Weight353.90 g/mol
Exact Mass353.17
IUPAC Name1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine;hydrochloride
SMILESCC(C)c1ccccc1/N=C(\N)N(C)c1cccc2ccccc12.Cl
InChIInChI=1S/C21H23N3.ClH/c1-15(2)17-11-6-7-13-19(17)23-21(22)24(3)20-14-8-10-16-9-4-5-12-18(16)20;/h4-15H,1-3H3,(H2,22,23);1H
InChIKeyQAHQSTKMMYHZAR-UHFFFAOYSA-N
XLogP5.47
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.90
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

1-(2,5-dimethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine;hydrochloride
CID 22121805
2-(2-chloro-5-ethylphenyl)-1-methyl-1-naphthalen-1-ylguanidine
CID 154448676
1-methyl-2-naphthalen-1-yl-1-naphthalen-2-ylguanidine
CID 118721793
1-(3-oxopropyl)-1,2-bis(2-propan-2-ylphenyl)guanidine
CID 175119125
N'-(2-propan-2-ylphenyl)propanimidamide
CID 63174482
N'-(2-propan-2-ylphenyl)benzenecarboximidamide
CID 55160347
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
1-(4-fluoro-3-methylphenyl)-1-methyl-2-naphthalen-1-ylguanidine
CID 18751628
1-methyl-2-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]guanidine
CID 18752006
ethyl N'-(2-propan-2-ylphenyl)carbamimidothioate
CID 10537022
1-(3-ethyl-2,4,6-trifluorophenyl)-1-methyl-2-naphthalen-1-ylguanidine
CID 18752246
4-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]-N'-(2-propan-2-ylphenyl)piperazine-1-carboximidamide
CID 70157833

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine;hydrochloride?
The IUPAC name of 1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine;hydrochloride (CID 19063251) is 1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine;hydrochloride.
What is the SMILES notation for 1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine;hydrochloride?
The canonical SMILES for 1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine;hydrochloride is CC(C)c1ccccc1/N=C(\N)N(C)c1cccc2ccccc12.Cl.
What is the InChIKey of 1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine;hydrochloride?
The InChIKey is QAHQSTKMMYHZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3.ClH/c1-15(2)17-11-6-7-13-19(17)23-21(22)24(3)20-14-8-10-16-9-4-5-12-18(16)20;/h4-15H,1-3H3,(H2,22,23);1H.
What are the key properties of 1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine;hydrochloride?
1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine;hydrochloride has a molecular weight of 353.90 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine;hydrochloride is sourced from PubChem (CID 19063251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).