N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-phenylpropan-1-amine

C20H26N2 — CID 54806803

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-phenylpropan-1-amine
SMILESCCC(NCCN1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C20H26N2/c1-2-19(17-9-4-3-5-10-17)21-14-16-22-15-8-12-18-11-6-7-13-20(18)22/h3-7,9-11,13,19,21H,2,8,12,14-16H2,1H3
InChIKeyYLCSSOMDAZGIQL-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.18
Rot. Bonds6

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-phenylpropan-1-amine

N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-phenylpropan-1-amine (PubChem CID 54806803) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-phenylpropan-1-amine
PubChem CID54806803
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-phenylpropan-1-amine
SMILESCCC(NCCN1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C20H26N2/c1-2-19(17-9-4-3-5-10-17)21-14-16-22-15-8-12-18-11-6-7-13-20(18)22/h3-7,9-11,13,19,21H,2,8,12,14-16H2,1H3
InChIKeyYLCSSOMDAZGIQL-UHFFFAOYSA-N
XLogP4.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pentan-2-amine
CID 55085658
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 30400404
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]prop-2-yn-1-amine
CID 62574477
1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 43203842
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine
CID 54806928
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)propanamide
CID 24588515
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
N-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]butan-2-amine
CID 60854306
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2,3-dimethylaniline
CID 54807403
N-methyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-amine
CID 106799956

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-phenylpropan-1-amine?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-phenylpropan-1-amine (CID 54806803) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-phenylpropan-1-amine.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-phenylpropan-1-amine?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-phenylpropan-1-amine is CCC(NCCN1CCCc2ccccc21)c1ccccc1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-phenylpropan-1-amine?
The InChIKey is YLCSSOMDAZGIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-2-19(17-9-4-3-5-10-17)21-14-16-22-15-8-12-18-11-6-7-13-20(18)22/h3-7,9-11,13,19,21H,2,8,12,14-16H2,1H3.
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-phenylpropan-1-amine?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-phenylpropan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 54806803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).