2,5-dimethyl-N-(quinolin-4-ylmethyl)aniline

C18H18N2 — CID 63867018

IUPAC2,5-dimethyl-N-(quinolin-4-ylmethyl)aniline
SMILESCc1ccc(C)c(NCc2ccnc3ccccc23)c1
InChIInChI=1S/C18H18N2/c1-13-7-8-14(2)18(11-13)20-12-15-9-10-19-17-6-4-3-5-16(15)17/h3-11,20H,12H2,1-2H3
InChIKeyAVBGABXOVVDHPP-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.46
Rot. Bonds3

About 2,5-dimethyl-N-(quinolin-4-ylmethyl)aniline

2,5-dimethyl-N-(quinolin-4-ylmethyl)aniline (PubChem CID 63867018) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2,5-dimethyl-N-(quinolin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-(quinolin-4-ylmethyl)aniline
PubChem CID63867018
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2,5-dimethyl-N-(quinolin-4-ylmethyl)aniline
SMILESCc1ccc(C)c(NCc2ccnc3ccccc23)c1
InChIInChI=1S/C18H18N2/c1-13-7-8-14(2)18(11-13)20-12-15-9-10-19-17-6-4-3-5-16(15)17/h3-11,20H,12H2,1-2H3
InChIKeyAVBGABXOVVDHPP-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

2,4,5-trifluoro-N-(quinolin-4-ylmethyl)aniline
CID 63868097
N-(quinolin-4-ylmethyl)aniline
CID 57199115
N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine
CID 67723222
2,4-dibromo-N-(quinolin-4-ylmethyl)aniline
CID 63868656
2,5-dimethyl-N-(quinoxalin-2-ylmethyl)aniline
CID 43765885
N-[(2-aminophenyl)methyl]-2,5-dimethylaniline
CID 66387234
4-bromo-2-chloro-N-(quinolin-4-ylmethyl)aniline
CID 63866864
2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 110734272
1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63850384
2-(3-methylphenyl)-N-(quinolin-4-ylmethyl)acetamide
CID 110734253
(1R)-1-(3-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 81369406
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(quinolin-4-ylmethyl)aniline?
The IUPAC name of 2,5-dimethyl-N-(quinolin-4-ylmethyl)aniline (CID 63867018) is 2,5-dimethyl-N-(quinolin-4-ylmethyl)aniline.
What is the SMILES notation for 2,5-dimethyl-N-(quinolin-4-ylmethyl)aniline?
The canonical SMILES for 2,5-dimethyl-N-(quinolin-4-ylmethyl)aniline is Cc1ccc(C)c(NCc2ccnc3ccccc23)c1.
What is the InChIKey of 2,5-dimethyl-N-(quinolin-4-ylmethyl)aniline?
The InChIKey is AVBGABXOVVDHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-7-8-14(2)18(11-13)20-12-15-9-10-19-17-6-4-3-5-16(15)17/h3-11,20H,12H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(quinolin-4-ylmethyl)aniline?
2,5-dimethyl-N-(quinolin-4-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 2,5-dimethyl-N-(quinolin-4-ylmethyl)aniline is sourced from PubChem (CID 63867018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).