3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline

C18H18N2 — CID 28776356

IUPAC3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
SMILESCc1cc(C)cc(NCc2ccc3ncccc3c2)c1
InChIInChI=1S/C18H18N2/c1-13-8-14(2)10-17(9-13)20-12-15-5-6-18-16(11-15)4-3-7-19-18/h3-11,20H,12H2,1-2H3
InChIKeyDFTWANPLCHHTPP-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.46
Rot. Bonds3

About 3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline

3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline (PubChem CID 28776356) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline.

Molecular Properties

Compound Name3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
PubChem CID28776356
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
SMILESCc1cc(C)cc(NCc2ccc3ncccc3c2)c1
InChIInChI=1S/C18H18N2/c1-13-8-14(2)10-17(9-13)20-12-15-5-6-18-16(11-15)4-3-7-19-18/h3-11,20H,12H2,1-2H3
InChIKeyDFTWANPLCHHTPP-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine
CID 62634241
3-bromo-5-methoxy-N-(quinolin-6-ylmethyl)aniline
CID 82860690
2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776204
2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline
CID 28968475
4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline
CID 61470243
2-ethyl-N-(quinolin-6-ylmethyl)aniline
CID 28521209
2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol
CID 104881406
N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 63306756
N-[(4-ethoxyphenyl)methyl]quinolin-6-amine
CID 62636132
N-(quinolin-6-ylmethyl)prop-2-yn-1-amine
CID 28776188
2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine
CID 113234424
3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115363507

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline?
The IUPAC name of 3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline (CID 28776356) is 3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline.
What is the SMILES notation for 3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline?
The canonical SMILES for 3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline is Cc1cc(C)cc(NCc2ccc3ncccc3c2)c1.
What is the InChIKey of 3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline?
The InChIKey is DFTWANPLCHHTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-8-14(2)10-17(9-13)20-12-15-5-6-18-16(11-15)4-3-7-19-18/h3-11,20H,12H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline?
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline has a molecular weight of 262.36 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline is sourced from PubChem (CID 28776356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).