1,3-dimethyl-1-(3-methylphenyl)-3-naphthalen-1-ylguanidine

C20H21N3 — CID 18752264

IUPAC1,3-dimethyl-1-(3-methylphenyl)-3-naphthalen-1-ylguanidine
SMILES[H]/N=C(\N(C)c1cccc(C)c1)N(C)c1cccc2ccccc12
InChIInChI=1S/C20H21N3/c1-15-8-6-11-17(14-15)22(2)20(21)23(3)19-13-7-10-16-9-4-5-12-18(16)19/h4-14,21H,1-3H3/b21-20+
InChIKeyMVKDUBDBYBWWMK-QZQOTICOSA-N
MW303.41 g/mol
LogP4.66
Rot. Bonds2

About 1,3-dimethyl-1-(3-methylphenyl)-3-naphthalen-1-ylguanidine

1,3-dimethyl-1-(3-methylphenyl)-3-naphthalen-1-ylguanidine (PubChem CID 18752264) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1,3-dimethyl-1-(3-methylphenyl)-3-naphthalen-1-ylguanidine.

Molecular Properties

Compound Name1,3-dimethyl-1-(3-methylphenyl)-3-naphthalen-1-ylguanidine
PubChem CID18752264
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name1,3-dimethyl-1-(3-methylphenyl)-3-naphthalen-1-ylguanidine
SMILES[H]/N=C(\N(C)c1cccc(C)c1)N(C)c1cccc2ccccc12
InChIInChI=1S/C20H21N3/c1-15-8-6-11-17(14-15)22(2)20(21)23(3)19-13-7-10-16-9-4-5-12-18(16)19/h4-14,21H,1-3H3/b21-20+
InChIKeyMVKDUBDBYBWWMK-QZQOTICOSA-N
XLogP4.66
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.66
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-methyl-N-(3-methylphenyl)ethanimidamide
CID 63173195
N-ethenyl-N-(3-methylphenyl)naphthalen-1-amine
CID 57274257
1-[2-(2-bromoethyl)phenyl]-3-(3-ethylphenyl)-1,3-dimethylguanidine
CID 54037139
N-(4-fluorophenyl)-N-(3-methylphenyl)naphthalen-1-amine
CID 15808211
1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 158590649
1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431746
1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea
CID 11403549
1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)naphthalene-1,3-diamine
CID 18941763
6-methyl-N-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 58876066
N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 160664392
2-(N-ethyl-3-methylanilino)benzenecarboximidamide
CID 61075693
N-(3-methylphenyl)-N-phenanthren-2-ylphenanthren-1-amine
CID 140898016

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-(3-methylphenyl)-3-naphthalen-1-ylguanidine?
The IUPAC name of 1,3-dimethyl-1-(3-methylphenyl)-3-naphthalen-1-ylguanidine (CID 18752264) is 1,3-dimethyl-1-(3-methylphenyl)-3-naphthalen-1-ylguanidine.
What is the SMILES notation for 1,3-dimethyl-1-(3-methylphenyl)-3-naphthalen-1-ylguanidine?
The canonical SMILES for 1,3-dimethyl-1-(3-methylphenyl)-3-naphthalen-1-ylguanidine is [H]/N=C(\N(C)c1cccc(C)c1)N(C)c1cccc2ccccc12.
What is the InChIKey of 1,3-dimethyl-1-(3-methylphenyl)-3-naphthalen-1-ylguanidine?
The InChIKey is MVKDUBDBYBWWMK-QZQOTICOSA-N. The full InChI is InChI=1S/C20H21N3/c1-15-8-6-11-17(14-15)22(2)20(21)23(3)19-13-7-10-16-9-4-5-12-18(16)19/h4-14,21H,1-3H3/b21-20+.
What are the key properties of 1,3-dimethyl-1-(3-methylphenyl)-3-naphthalen-1-ylguanidine?
1,3-dimethyl-1-(3-methylphenyl)-3-naphthalen-1-ylguanidine has a molecular weight of 303.41 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-(3-methylphenyl)-3-naphthalen-1-ylguanidine is sourced from PubChem (CID 18752264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).