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

C19H20N2 — CID 82541692

IUPAC4-(3-quinolin-6-ylphenyl)butan-2-amine
SMILESCC(N)CCc1cccc(-c2ccc3ncccc3c2)c1
InChIInChI=1S/C19H20N2/c1-14(20)7-8-15-4-2-5-16(12-15)17-9-10-19-18(13-17)6-3-11-21-19/h2-6,9-14H,7-8,20H2,1H3
InChIKeyKTADWODTERBPRR-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.18
Rot. Bonds4

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

4-(3-quinolin-6-ylphenyl)butan-2-amine (PubChem CID 82541692) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(3-quinolin-6-ylphenyl)butan-2-amine.

Molecular Properties

Compound Name4-(3-quinolin-6-ylphenyl)butan-2-amine
PubChem CID82541692
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name4-(3-quinolin-6-ylphenyl)butan-2-amine
SMILESCC(N)CCc1cccc(-c2ccc3ncccc3c2)c1
InChIInChI=1S/C19H20N2/c1-14(20)7-8-15-4-2-5-16(12-15)17-9-10-19-18(13-17)6-3-11-21-19/h2-6,9-14H,7-8,20H2,1H3
InChIKeyKTADWODTERBPRR-UHFFFAOYSA-N
XLogP4.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-quinolin-6-ylphenyl)butan-2-one
CID 82540933
4-methyl-1-quinolin-6-ylpentan-3-amine
CID 81224108
3-methyl-1-(4-quinolin-6-ylphenyl)butan-2-amine
CID 82541687
6-(3-methylphenyl)quinoline
CID 4185278
1-(2-chloro-4-quinolin-6-ylphenyl)ethanamine
CID 82781912
1-quinolin-6-yloxypropan-2-amine
CID 86262441
6-methyl-N-[3-(3-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide
CID 138674427
4-[4-(3-methylphenyl)phenyl]butan-2-amine
CID 82542141
1-(3-methylbutyl)-3-phenylbenzene
CID 21063782
4-(3-methylquinolin-6-yl)butan-2-amine
CID 116997396
N-methyl-1-quinolin-6-ylpentan-3-amine
CID 81221541
6-(4-methylsulfonylphenyl)quinoline
CID 72888822

Frequently Asked Questions

What is the IUPAC name of 4-(3-quinolin-6-ylphenyl)butan-2-amine?
The IUPAC name of 4-(3-quinolin-6-ylphenyl)butan-2-amine (CID 82541692) is 4-(3-quinolin-6-ylphenyl)butan-2-amine.
What is the SMILES notation for 4-(3-quinolin-6-ylphenyl)butan-2-amine?
The canonical SMILES for 4-(3-quinolin-6-ylphenyl)butan-2-amine is CC(N)CCc1cccc(-c2ccc3ncccc3c2)c1.
What is the InChIKey of 4-(3-quinolin-6-ylphenyl)butan-2-amine?
The InChIKey is KTADWODTERBPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-14(20)7-8-15-4-2-5-16(12-15)17-9-10-19-18(13-17)6-3-11-21-19/h2-6,9-14H,7-8,20H2,1H3.
What are the key properties of 4-(3-quinolin-6-ylphenyl)butan-2-amine?
4-(3-quinolin-6-ylphenyl)butan-2-amine has a molecular weight of 276.38 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-quinolin-6-ylphenyl)butan-2-amine is sourced from PubChem (CID 82541692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).