[1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine

C19H24N2 — CID 63218760

IUPAC[1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
SMILESNCC1CCc2ccccc2N1CCCc1ccccc1
InChIInChI=1S/C19H24N2/c20-15-18-13-12-17-10-4-5-11-19(17)21(18)14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11,18H,6,9,12-15,20H2
InChIKeyKQWOFGIPBBWXDM-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.40
Rot. Bonds5

About [1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine

[1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine (PubChem CID 63218760) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is [1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
PubChem CID63218760
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name[1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
SMILESNCC1CCc2ccccc2N1CCCc1ccccc1
InChIInChI=1S/C19H24N2/c20-15-18-13-12-17-10-4-5-11-19(17)21(18)14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11,18H,6,9,12-15,20H2
InChIKeyKQWOFGIPBBWXDM-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine?
The IUPAC name of [1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine (CID 63218760) is [1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine.
What is the SMILES notation for [1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine?
The canonical SMILES for [1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine is NCC1CCc2ccccc2N1CCCc1ccccc1.
What is the InChIKey of [1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine?
The InChIKey is KQWOFGIPBBWXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c20-15-18-13-12-17-10-4-5-11-19(17)21(18)14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11,18H,6,9,12-15,20H2.
What are the key properties of [1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine?
[1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine has a molecular weight of 280.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine is sourced from PubChem (CID 63218760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).