N'-[(2,4-dimethylphenyl)methyl]-2-naphthalen-2-ylethanimidamide;hydrochloride

C21H23ClN2 — CID 45260142

IUPACN'-[(2,4-dimethylphenyl)methyl]-2-naphthalen-2-ylethanimidamide;hydrochloride
SMILESCc1ccc(C/N=C(\N)Cc2ccc3ccccc3c2)c(C)c1.Cl
InChIInChI=1S/C21H22N2.ClH/c1-15-7-9-20(16(2)11-15)14-23-21(22)13-17-8-10-18-5-3-4-6-19(18)12-17;/h3-12H,13-14H2,1-2H3,(H2,22,23);1H
InChIKeyMMSYUXHMPYXGBG-UHFFFAOYSA-N
MW338.88 g/mol
LogP4.98
Rot. Bonds4

About N'-[(2,4-dimethylphenyl)methyl]-2-naphthalen-2-ylethanimidamide;hydrochloride

N'-[(2,4-dimethylphenyl)methyl]-2-naphthalen-2-ylethanimidamide;hydrochloride (PubChem CID 45260142) has the molecular formula C21H23ClN2 and a molecular weight of 338.88 g/mol. Its IUPAC name is N'-[(2,4-dimethylphenyl)methyl]-2-naphthalen-2-ylethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-[(2,4-dimethylphenyl)methyl]-2-naphthalen-2-ylethanimidamide;hydrochloride
PubChem CID45260142
Molecular FormulaC21H23ClN2
Molecular Weight338.88 g/mol
Exact Mass338.15
IUPAC NameN'-[(2,4-dimethylphenyl)methyl]-2-naphthalen-2-ylethanimidamide;hydrochloride
SMILESCc1ccc(C/N=C(\N)Cc2ccc3ccccc3c2)c(C)c1.Cl
InChIInChI=1S/C21H22N2.ClH/c1-15-7-9-20(16(2)11-15)14-23-21(22)13-17-8-10-18-5-3-4-6-19(18)12-17;/h3-12H,13-14H2,1-2H3,(H2,22,23);1H
InChIKeyMMSYUXHMPYXGBG-UHFFFAOYSA-N
XLogP4.98
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 54.98
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

N'-[(4-methylphenyl)methyl]-2-phenylethanimidamide
CID 10586033
1-(diaminomethylidene)-2-[(2,4-dimethylphenyl)methyl]guanidine
CID 118455489
methyl N'-[(2,4-dimethylphenyl)methyl]carbamimidothioate
CID 130705429
2-[(2,5-dimethylphenyl)methyl]naphthalene
CID 101429734
3-naphthalen-2-yl-2-oxopropanamide
CID 57061050
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
1-(4-methylphenyl)-2-(2-naphthalen-2-ylethyl)guanidine
CID 111069790
N-amino-N'-methyl-2-naphthalen-2-ylethanimidamide
CID 61362667
N-(4-methylphenyl)-2-naphthalen-2-ylacetamide
CID 9411639
2-methylnaphthalene;1,2-xylene
CID 142041411
sodium 2-naphthalen-2-ylacetate
CID 23688045
2-(2-methylprop-2-enyl)naphthalene
CID 24722193

Frequently Asked Questions

What is the IUPAC name of N'-[(2,4-dimethylphenyl)methyl]-2-naphthalen-2-ylethanimidamide;hydrochloride?
The IUPAC name of N'-[(2,4-dimethylphenyl)methyl]-2-naphthalen-2-ylethanimidamide;hydrochloride (CID 45260142) is N'-[(2,4-dimethylphenyl)methyl]-2-naphthalen-2-ylethanimidamide;hydrochloride.
What is the SMILES notation for N'-[(2,4-dimethylphenyl)methyl]-2-naphthalen-2-ylethanimidamide;hydrochloride?
The canonical SMILES for N'-[(2,4-dimethylphenyl)methyl]-2-naphthalen-2-ylethanimidamide;hydrochloride is Cc1ccc(C/N=C(\N)Cc2ccc3ccccc3c2)c(C)c1.Cl.
What is the InChIKey of N'-[(2,4-dimethylphenyl)methyl]-2-naphthalen-2-ylethanimidamide;hydrochloride?
The InChIKey is MMSYUXHMPYXGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2.ClH/c1-15-7-9-20(16(2)11-15)14-23-21(22)13-17-8-10-18-5-3-4-6-19(18)12-17;/h3-12H,13-14H2,1-2H3,(H2,22,23);1H.
What are the key properties of N'-[(2,4-dimethylphenyl)methyl]-2-naphthalen-2-ylethanimidamide;hydrochloride?
N'-[(2,4-dimethylphenyl)methyl]-2-naphthalen-2-ylethanimidamide;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,4-dimethylphenyl)methyl]-2-naphthalen-2-ylethanimidamide;hydrochloride is sourced from PubChem (CID 45260142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).