4-[(6,7-dimethylquinolin-4-yl)methyl]aniline

C18H18N2 — CID 142137055

IUPAC4-[(6,7-dimethylquinolin-4-yl)methyl]aniline
SMILESCc1cc2nccc(Cc3ccc(N)cc3)c2cc1C
InChIInChI=1S/C18H18N2/c1-12-9-17-15(7-8-20-18(17)10-13(12)2)11-14-3-5-16(19)6-4-14/h3-10H,11,19H2,1-2H3
InChIKeyCXCDWZYFJHNYPU-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.02
Rot. Bonds2

About 4-[(6,7-dimethylquinolin-4-yl)methyl]aniline

4-[(6,7-dimethylquinolin-4-yl)methyl]aniline (PubChem CID 142137055) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[(6,7-dimethylquinolin-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(6,7-dimethylquinolin-4-yl)methyl]aniline
PubChem CID142137055
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name4-[(6,7-dimethylquinolin-4-yl)methyl]aniline
SMILESCc1cc2nccc(Cc3ccc(N)cc3)c2cc1C
InChIInChI=1S/C18H18N2/c1-12-9-17-15(7-8-20-18(17)10-13(12)2)11-14-3-5-16(19)6-4-14/h3-10H,11,19H2,1-2H3
InChIKeyCXCDWZYFJHNYPU-UHFFFAOYSA-N
XLogP4.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(6,7-diethylquinolin-4-yl)methyl]-N-methylaniline
CID 138565009
3-methyl-5-(quinolin-4-ylmethyl)aniline
CID 107579575
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-methylphenyl]methyl]-2-methylphenyl]methyl]phenyl]methyl]aniline
CID 22920657
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-2-methylphenyl]methyl]phenyl]methyl]phenyl]methyl]-3-methylphenyl]methyl]aniline
CID 18976911
[3-methyl-4-(quinolin-4-ylmethyl)phenyl]methanamine
CID 66481827
8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinoline
CID 91664973
4-methylquinoline-6,7-diamine
CID 177181300
4-(quinolin-4-ylmethyl)phenol
CID 83128983
(6,7-dimethylquinolin-4-yl)hydrazine;hydrochloride
CID 17039963
4-[[4-[7-[4-[(4-aminophenyl)methyl]-3-methylphenyl]heptyl]-2-methylphenyl]methyl]aniline
CID 22920157
5-[[4-[(4-amino-2-methylphenyl)methyl]quinolin-7-yl]methyl]-5-azaspiro[2.4]heptan-7-amine
CID 129043065
1-[4-[(6,7-dimethoxyquinolin-4-yl)methyl]phenyl]-5-phenylpentan-1-one
CID 58065102

Frequently Asked Questions

What is the IUPAC name of 4-[(6,7-dimethylquinolin-4-yl)methyl]aniline?
The IUPAC name of 4-[(6,7-dimethylquinolin-4-yl)methyl]aniline (CID 142137055) is 4-[(6,7-dimethylquinolin-4-yl)methyl]aniline.
What is the SMILES notation for 4-[(6,7-dimethylquinolin-4-yl)methyl]aniline?
The canonical SMILES for 4-[(6,7-dimethylquinolin-4-yl)methyl]aniline is Cc1cc2nccc(Cc3ccc(N)cc3)c2cc1C.
What is the InChIKey of 4-[(6,7-dimethylquinolin-4-yl)methyl]aniline?
The InChIKey is CXCDWZYFJHNYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-12-9-17-15(7-8-20-18(17)10-13(12)2)11-14-3-5-16(19)6-4-14/h3-10H,11,19H2,1-2H3.
What are the key properties of 4-[(6,7-dimethylquinolin-4-yl)methyl]aniline?
4-[(6,7-dimethylquinolin-4-yl)methyl]aniline has a molecular weight of 262.36 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-dimethylquinolin-4-yl)methyl]aniline is sourced from PubChem (CID 142137055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).