N-methyl-4-(6-methylnaphthalen-2-yl)aniline

C18H17N — CID 116962530

IUPACN-methyl-4-(6-methylnaphthalen-2-yl)aniline
SMILESCNc1ccc(-c2ccc3cc(C)ccc3c2)cc1
InChIInChI=1S/C18H17N/c1-13-3-4-17-12-16(6-5-15(17)11-13)14-7-9-18(19-2)10-8-14/h3-12,19H,1-2H3
InChIKeyAXBDTTWMYJRNSJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.86
Rot. Bonds2

About N-methyl-4-(6-methylnaphthalen-2-yl)aniline

N-methyl-4-(6-methylnaphthalen-2-yl)aniline (PubChem CID 116962530) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is N-methyl-4-(6-methylnaphthalen-2-yl)aniline.

Molecular Properties

Compound NameN-methyl-4-(6-methylnaphthalen-2-yl)aniline
PubChem CID116962530
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC NameN-methyl-4-(6-methylnaphthalen-2-yl)aniline
SMILESCNc1ccc(-c2ccc3cc(C)ccc3c2)cc1
InChIInChI=1S/C18H17N/c1-13-3-4-17-12-16(6-5-15(17)11-13)14-7-9-18(19-2)10-8-14/h3-12,19H,1-2H3
InChIKeyAXBDTTWMYJRNSJ-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(6-methylnaphthalen-2-yl)aniline?
The IUPAC name of N-methyl-4-(6-methylnaphthalen-2-yl)aniline (CID 116962530) is N-methyl-4-(6-methylnaphthalen-2-yl)aniline.
What is the SMILES notation for N-methyl-4-(6-methylnaphthalen-2-yl)aniline?
The canonical SMILES for N-methyl-4-(6-methylnaphthalen-2-yl)aniline is CNc1ccc(-c2ccc3cc(C)ccc3c2)cc1.
What is the InChIKey of N-methyl-4-(6-methylnaphthalen-2-yl)aniline?
The InChIKey is AXBDTTWMYJRNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-13-3-4-17-12-16(6-5-15(17)11-13)14-7-9-18(19-2)10-8-14/h3-12,19H,1-2H3.
What are the key properties of N-methyl-4-(6-methylnaphthalen-2-yl)aniline?
N-methyl-4-(6-methylnaphthalen-2-yl)aniline has a molecular weight of 247.34 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(6-methylnaphthalen-2-yl)aniline is sourced from PubChem (CID 116962530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).