3-(3,4-dimethylphenyl)-N-methyl-1-(4-methylnaphthalen-1-yl)butan-1-imine

C24H27N — CID 153334393

IUPAC3-(3,4-dimethylphenyl)-N-methyl-1-(4-methylnaphthalen-1-yl)butan-1-imine
SMILESC/N=C(\CC(C)c1ccc(C)c(C)c1)c1ccc(C)c2ccccc12
InChIInChI=1S/C24H27N/c1-16-10-12-20(14-18(16)3)19(4)15-24(25-5)23-13-11-17(2)21-8-6-7-9-22(21)23/h6-14,19H,15H2,1-5H3/b25-24+
InChIKeyOOQLWIPGJFYWAG-OCOZRVBESA-N
MW329.49 g/mol
LogP6.38
Rot. Bonds4

About 3-(3,4-dimethylphenyl)-N-methyl-1-(4-methylnaphthalen-1-yl)butan-1-imine

3-(3,4-dimethylphenyl)-N-methyl-1-(4-methylnaphthalen-1-yl)butan-1-imine (PubChem CID 153334393) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-methyl-1-(4-methylnaphthalen-1-yl)butan-1-imine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-methyl-1-(4-methylnaphthalen-1-yl)butan-1-imine
PubChem CID153334393
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC Name3-(3,4-dimethylphenyl)-N-methyl-1-(4-methylnaphthalen-1-yl)butan-1-imine
SMILESC/N=C(\CC(C)c1ccc(C)c(C)c1)c1ccc(C)c2ccccc12
InChIInChI=1S/C24H27N/c1-16-10-12-20(14-18(16)3)19(4)15-24(25-5)23-13-11-17(2)21-8-6-7-9-22(21)23/h6-14,19H,15H2,1-5H3/b25-24+
InChIKeyOOQLWIPGJFYWAG-OCOZRVBESA-N
XLogP6.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(3,4-dimethylphenyl)butanoic acid
CID 42073243
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
6-butan-2-yl-1-methylnaphthalene;1,4-dimethylnaphthalene;ethane;methane
CID 178128482
4-(3,4-dimethylphenyl)pentane-1,2-diol
CID 83927966
(5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 107960064
1-methyl-4-(3-methylbut-2-en-2-yl)naphthalene
CID 58760824
CID 22401841
CID 22401841
N,4-dimethylnaphthalene-1-carboxamide
CID 90054861
3-(3,4-dimethylphenyl)-3-phenylpropanoic acid
CID 166063960
2-(2,6-dimethylphenoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 63476117
1,5-dimethyl-3-propan-2-ylnaphthalene
CID 102239796
1-[(E)-but-2-en-2-yl]-4-methylnaphthalene
CID 144623185

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-methyl-1-(4-methylnaphthalen-1-yl)butan-1-imine?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-methyl-1-(4-methylnaphthalen-1-yl)butan-1-imine (CID 153334393) is 3-(3,4-dimethylphenyl)-N-methyl-1-(4-methylnaphthalen-1-yl)butan-1-imine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-methyl-1-(4-methylnaphthalen-1-yl)butan-1-imine?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-methyl-1-(4-methylnaphthalen-1-yl)butan-1-imine is C/N=C(\CC(C)c1ccc(C)c(C)c1)c1ccc(C)c2ccccc12.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-methyl-1-(4-methylnaphthalen-1-yl)butan-1-imine?
The InChIKey is OOQLWIPGJFYWAG-OCOZRVBESA-N. The full InChI is InChI=1S/C24H27N/c1-16-10-12-20(14-18(16)3)19(4)15-24(25-5)23-13-11-17(2)21-8-6-7-9-22(21)23/h6-14,19H,15H2,1-5H3/b25-24+.
What are the key properties of 3-(3,4-dimethylphenyl)-N-methyl-1-(4-methylnaphthalen-1-yl)butan-1-imine?
3-(3,4-dimethylphenyl)-N-methyl-1-(4-methylnaphthalen-1-yl)butan-1-imine has a molecular weight of 329.49 g/mol, XLogP of 6.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-methyl-1-(4-methylnaphthalen-1-yl)butan-1-imine is sourced from PubChem (CID 153334393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).