3-methyl-1-(4-quinolin-6-ylphenyl)butan-2-amine

C20H22N2 — CID 82541687

IUPAC3-methyl-1-(4-quinolin-6-ylphenyl)butan-2-amine
SMILESCC(C)C(N)Cc1ccc(-c2ccc3ncccc3c2)cc1
InChIInChI=1S/C20H22N2/c1-14(2)19(21)12-15-5-7-16(8-6-15)17-9-10-20-18(13-17)4-3-11-22-20/h3-11,13-14,19H,12,21H2,1-2H3
InChIKeyHQLHFKWJSRAZEV-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.43
Rot. Bonds4

About 3-methyl-1-(4-quinolin-6-ylphenyl)butan-2-amine

3-methyl-1-(4-quinolin-6-ylphenyl)butan-2-amine (PubChem CID 82541687) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-methyl-1-(4-quinolin-6-ylphenyl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(4-quinolin-6-ylphenyl)butan-2-amine
PubChem CID82541687
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name3-methyl-1-(4-quinolin-6-ylphenyl)butan-2-amine
SMILESCC(C)C(N)Cc1ccc(-c2ccc3ncccc3c2)cc1
InChIInChI=1S/C20H22N2/c1-14(2)19(21)12-15-5-7-16(8-6-15)17-9-10-20-18(13-17)4-3-11-22-20/h3-11,13-14,19H,12,21H2,1-2H3
InChIKeyHQLHFKWJSRAZEV-UHFFFAOYSA-N
XLogP4.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-quinolin-6-ylpentan-3-amine
CID 81224108
4-(3-quinolin-6-ylphenyl)butan-2-amine
CID 82541692
2-(4-methylphenyl)-1-quinolin-6-ylethanamine
CID 63097383
1-(2-chloro-4-quinolin-6-ylphenyl)ethanamine
CID 82781912
(1R)-2-methyl-1-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104901602
1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine
CID 62634602
6-(3-methylphenyl)quinoline
CID 4185278
6-(4-methylsulfonylphenyl)quinoline
CID 72888822
1-quinolin-6-yloxypropan-2-amine
CID 86262441
(1S)-2-methyl-1-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 104900102
2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 63095950
2-quinolin-6-ylpropan-1-amine
CID 79002101

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-quinolin-6-ylphenyl)butan-2-amine?
The IUPAC name of 3-methyl-1-(4-quinolin-6-ylphenyl)butan-2-amine (CID 82541687) is 3-methyl-1-(4-quinolin-6-ylphenyl)butan-2-amine.
What is the SMILES notation for 3-methyl-1-(4-quinolin-6-ylphenyl)butan-2-amine?
The canonical SMILES for 3-methyl-1-(4-quinolin-6-ylphenyl)butan-2-amine is CC(C)C(N)Cc1ccc(-c2ccc3ncccc3c2)cc1.
What is the InChIKey of 3-methyl-1-(4-quinolin-6-ylphenyl)butan-2-amine?
The InChIKey is HQLHFKWJSRAZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-14(2)19(21)12-15-5-7-16(8-6-15)17-9-10-20-18(13-17)4-3-11-22-20/h3-11,13-14,19H,12,21H2,1-2H3.
What are the key properties of 3-methyl-1-(4-quinolin-6-ylphenyl)butan-2-amine?
3-methyl-1-(4-quinolin-6-ylphenyl)butan-2-amine has a molecular weight of 290.41 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-quinolin-6-ylphenyl)butan-2-amine is sourced from PubChem (CID 82541687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).