2-phenyl-1-quinolin-3-ylbutan-1-amine

C19H20N2 — CID 115798275

IUPAC2-phenyl-1-quinolin-3-ylbutan-1-amine
SMILESCCC(c1ccccc1)C(N)c1cnc2ccccc2c1
InChIInChI=1S/C19H20N2/c1-2-17(14-8-4-3-5-9-14)19(20)16-12-15-10-6-7-11-18(15)21-13-16/h3-13,17,19H,2,20H2,1H3
InChIKeyPPRZFPOBFRQRSP-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.43
Rot. Bonds4

About 2-phenyl-1-quinolin-3-ylbutan-1-amine

2-phenyl-1-quinolin-3-ylbutan-1-amine (PubChem CID 115798275) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-phenyl-1-quinolin-3-ylbutan-1-amine.

Molecular Properties

Compound Name2-phenyl-1-quinolin-3-ylbutan-1-amine
PubChem CID115798275
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name2-phenyl-1-quinolin-3-ylbutan-1-amine
SMILESCCC(c1ccccc1)C(N)c1cnc2ccccc2c1
InChIInChI=1S/C19H20N2/c1-2-17(14-8-4-3-5-9-14)19(20)16-12-15-10-6-7-11-18(15)21-13-16/h3-13,17,19H,2,20H2,1H3
InChIKeyPPRZFPOBFRQRSP-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-quinolin-3-ylbutan-1-amine
CID 116716202
2-ethoxy-1-quinolin-3-ylpropan-1-amine
CID 64542181
1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine
CID 105026478
2-methoxy-3-methyl-1-quinolin-3-ylbutan-1-amine
CID 116719597
2-quinolin-3-ylbutanamide
CID 154121490
1-quinolin-3-ylbutylhydrazine
CID 105202157
ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate
CID 34177500
2-amino-2-quinolin-3-ylethanol;ethene
CID 142317274
1-quinolin-3-ylbutan-1-ol
CID 60924193
N-(1-phenylpropyl)quinolin-3-amine
CID 43691285
fluoro(quinolin-3-yl)methanol
CID 163892772
(1S)-1-quinolin-3-ylbut-3-en-1-amine
CID 55271973

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-quinolin-3-ylbutan-1-amine?
The IUPAC name of 2-phenyl-1-quinolin-3-ylbutan-1-amine (CID 115798275) is 2-phenyl-1-quinolin-3-ylbutan-1-amine.
What is the SMILES notation for 2-phenyl-1-quinolin-3-ylbutan-1-amine?
The canonical SMILES for 2-phenyl-1-quinolin-3-ylbutan-1-amine is CCC(c1ccccc1)C(N)c1cnc2ccccc2c1.
What is the InChIKey of 2-phenyl-1-quinolin-3-ylbutan-1-amine?
The InChIKey is PPRZFPOBFRQRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-2-17(14-8-4-3-5-9-14)19(20)16-12-15-10-6-7-11-18(15)21-13-16/h3-13,17,19H,2,20H2,1H3.
What are the key properties of 2-phenyl-1-quinolin-3-ylbutan-1-amine?
2-phenyl-1-quinolin-3-ylbutan-1-amine has a molecular weight of 276.38 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 2-phenyl-1-quinolin-3-ylbutan-1-amine is sourced from PubChem (CID 115798275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).