1-benzo[h]quinolin-2-ylpropan-1-amine

C16H16N2 — CID 118118854

IUPAC1-benzo[h]quinolin-2-ylpropan-1-amine
SMILESCCC(N)c1ccc2ccc3ccccc3c2n1
InChIInChI=1S/C16H16N2/c1-2-14(17)15-10-9-12-8-7-11-5-3-4-6-13(11)16(12)18-15/h3-10,14H,2,17H2,1H3
InChIKeyVWPWVOAJTCGXDV-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.80
Rot. Bonds2

About 1-benzo[h]quinolin-2-ylpropan-1-amine

1-benzo[h]quinolin-2-ylpropan-1-amine (PubChem CID 118118854) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-benzo[h]quinolin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-benzo[h]quinolin-2-ylpropan-1-amine
PubChem CID118118854
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name1-benzo[h]quinolin-2-ylpropan-1-amine
SMILESCCC(N)c1ccc2ccc3ccccc3c2n1
InChIInChI=1S/C16H16N2/c1-2-14(17)15-10-9-12-8-7-11-5-3-4-6-13(11)16(12)18-15/h3-10,14H,2,17H2,1H3
InChIKeyVWPWVOAJTCGXDV-UHFFFAOYSA-N
XLogP3.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-benzo[h]quinolin-2-ylpropan-1-amine;methanol
CID 142536181
(1S)-1-quinolin-2-ylpropan-1-amine;hydrochloride
CID 171236572
1-[(1S)-1-aminopropyl]naphthalen-2-ol
CID 93030603
(1S)-1-(5,6-dichloro-2-pyridinyl)propan-1-amine
CID 130671245
(1R)-1-(1,5-naphthyridin-2-yl)propan-1-amine
CID 130615204
3-methyl-1-quinolin-2-ylpentan-1-amine
CID 63222429
1-(2-ethoxynaphthalen-1-yl)propan-1-amine
CID 82263032
(1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine
CID 95420558
iridium;2-phenylbenzo[h]quinoline
CID 175438986
(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 122236499
(1R)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171213379
ethane;methane;phenanthrene
CID 144939263

Frequently Asked Questions

What is the IUPAC name of 1-benzo[h]quinolin-2-ylpropan-1-amine?
The IUPAC name of 1-benzo[h]quinolin-2-ylpropan-1-amine (CID 118118854) is 1-benzo[h]quinolin-2-ylpropan-1-amine.
What is the SMILES notation for 1-benzo[h]quinolin-2-ylpropan-1-amine?
The canonical SMILES for 1-benzo[h]quinolin-2-ylpropan-1-amine is CCC(N)c1ccc2ccc3ccccc3c2n1.
What is the InChIKey of 1-benzo[h]quinolin-2-ylpropan-1-amine?
The InChIKey is VWPWVOAJTCGXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-2-14(17)15-10-9-12-8-7-11-5-3-4-6-13(11)16(12)18-15/h3-10,14H,2,17H2,1H3.
What are the key properties of 1-benzo[h]quinolin-2-ylpropan-1-amine?
1-benzo[h]quinolin-2-ylpropan-1-amine has a molecular weight of 236.32 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzo[h]quinolin-2-ylpropan-1-amine is sourced from PubChem (CID 118118854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).