N-[1-(4-methylphenyl)propyl]quinolin-5-amine

C19H20N2 — CID 43100216

IUPACN-[1-(4-methylphenyl)propyl]quinolin-5-amine
SMILESCCC(Nc1cccc2ncccc12)c1ccc(C)cc1
InChIInChI=1S/C19H20N2/c1-3-17(15-11-9-14(2)10-12-15)21-19-8-4-7-18-16(19)6-5-13-20-18/h4-13,17,21H,3H2,1-2H3
InChIKeyHHESMKOWCZJYLL-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.11
Rot. Bonds4

About N-[1-(4-methylphenyl)propyl]quinolin-5-amine

N-[1-(4-methylphenyl)propyl]quinolin-5-amine (PubChem CID 43100216) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]quinolin-5-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]quinolin-5-amine
PubChem CID43100216
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC NameN-[1-(4-methylphenyl)propyl]quinolin-5-amine
SMILESCCC(Nc1cccc2ncccc12)c1ccc(C)cc1
InChIInChI=1S/C19H20N2/c1-3-17(15-11-9-14(2)10-12-15)21-19-8-4-7-18-16(19)6-5-13-20-18/h4-13,17,21H,3H2,1-2H3
InChIKeyHHESMKOWCZJYLL-UHFFFAOYSA-N
XLogP5.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]quinolin-5-amine?
The IUPAC name of N-[1-(4-methylphenyl)propyl]quinolin-5-amine (CID 43100216) is N-[1-(4-methylphenyl)propyl]quinolin-5-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]quinolin-5-amine?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]quinolin-5-amine is CCC(Nc1cccc2ncccc12)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]quinolin-5-amine?
The InChIKey is HHESMKOWCZJYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-3-17(15-11-9-14(2)10-12-15)21-19-8-4-7-18-16(19)6-5-13-20-18/h4-13,17,21H,3H2,1-2H3.
What are the key properties of N-[1-(4-methylphenyl)propyl]quinolin-5-amine?
N-[1-(4-methylphenyl)propyl]quinolin-5-amine has a molecular weight of 276.38 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]quinolin-5-amine is sourced from PubChem (CID 43100216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).