N-[3-(3-methylphenyl)butyl]quinolin-6-amine

C20H22N2 — CID 135134064

IUPACN-[3-(3-methylphenyl)butyl]quinolin-6-amine
SMILESCc1cccc(C(C)CCNc2ccc3ncccc3c2)c1
InChIInChI=1S/C20H22N2/c1-15-5-3-6-17(13-15)16(2)10-12-21-19-8-9-20-18(14-19)7-4-11-22-20/h3-9,11,13-14,16,21H,10,12H2,1-2H3
InChIKeyRPVYGZUJIWLBKL-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.15
Rot. Bonds5

About N-[3-(3-methylphenyl)butyl]quinolin-6-amine

N-[3-(3-methylphenyl)butyl]quinolin-6-amine (PubChem CID 135134064) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[3-(3-methylphenyl)butyl]quinolin-6-amine.

Molecular Properties

Compound NameN-[3-(3-methylphenyl)butyl]quinolin-6-amine
PubChem CID135134064
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC NameN-[3-(3-methylphenyl)butyl]quinolin-6-amine
SMILESCc1cccc(C(C)CCNc2ccc3ncccc3c2)c1
InChIInChI=1S/C20H22N2/c1-15-5-3-6-17(13-15)16(2)10-12-21-19-8-9-20-18(14-19)7-4-11-22-20/h3-9,11,13-14,16,21H,10,12H2,1-2H3
InChIKeyRPVYGZUJIWLBKL-UHFFFAOYSA-N
XLogP5.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylbutyl)quinolin-6-amine
CID 62950963
2-bromo-2-(3-methylphenyl)-N-quinolin-6-ylacetamide
CID 175483384
N-[(3-methylphenyl)-quinolin-6-ylmethyl]ethanamine
CID 63095453
N-[1-(2,5-dimethylphenyl)ethyl]quinolin-6-amine
CID 62636644
N-(4-methylsulfanylbutyl)quinolin-6-amine
CID 103087988
N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine
CID 62634241
6-methylquinoline
CID 7059
2-(3-methylanilino)-2-quinolin-6-ylethanol
CID 63970817
2-quinolin-6-ylpropan-1-amine
CID 79002101
3-(3-methylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81019471
N-hexan-2-ylquinolin-6-amine
CID 62636483
2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol
CID 81418945

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylphenyl)butyl]quinolin-6-amine?
The IUPAC name of N-[3-(3-methylphenyl)butyl]quinolin-6-amine (CID 135134064) is N-[3-(3-methylphenyl)butyl]quinolin-6-amine.
What is the SMILES notation for N-[3-(3-methylphenyl)butyl]quinolin-6-amine?
The canonical SMILES for N-[3-(3-methylphenyl)butyl]quinolin-6-amine is Cc1cccc(C(C)CCNc2ccc3ncccc3c2)c1.
What is the InChIKey of N-[3-(3-methylphenyl)butyl]quinolin-6-amine?
The InChIKey is RPVYGZUJIWLBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-15-5-3-6-17(13-15)16(2)10-12-21-19-8-9-20-18(14-19)7-4-11-22-20/h3-9,11,13-14,16,21H,10,12H2,1-2H3.
What are the key properties of N-[3-(3-methylphenyl)butyl]quinolin-6-amine?
N-[3-(3-methylphenyl)butyl]quinolin-6-amine has a molecular weight of 290.41 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylphenyl)butyl]quinolin-6-amine is sourced from PubChem (CID 135134064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).