N-(3-phenoxypropyl)quinolin-2-amine

C18H18N2O — CID 60678079

IUPACN-(3-phenoxypropyl)quinolin-2-amine
SMILESc1ccc(OCCCNc2ccc3ccccc3n2)cc1
InChIInChI=1S/C18H18N2O/c1-2-8-16(9-3-1)21-14-6-13-19-18-12-11-15-7-4-5-10-17(15)20-18/h1-5,7-12H,6,13-14H2,(H,19,20)
InChIKeySMMZGEHXECILMC-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.12
Rot. Bonds6

About N-(3-phenoxypropyl)quinolin-2-amine

N-(3-phenoxypropyl)quinolin-2-amine (PubChem CID 60678079) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(3-phenoxypropyl)quinolin-2-amine.

Molecular Properties

Compound NameN-(3-phenoxypropyl)quinolin-2-amine
PubChem CID60678079
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-(3-phenoxypropyl)quinolin-2-amine
SMILESc1ccc(OCCCNc2ccc3ccccc3n2)cc1
InChIInChI=1S/C18H18N2O/c1-2-8-16(9-3-1)21-14-6-13-19-18-12-11-15-7-4-5-10-17(15)20-18/h1-5,7-12H,6,13-14H2,(H,19,20)
InChIKeySMMZGEHXECILMC-UHFFFAOYSA-N
XLogP4.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(quinolin-2-ylamino)propoxy]ethanol
CID 103990474
3-(quinolin-2-ylamino)propan-1-ol
CID 581988
N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]quinolin-2-amine
CID 14022500
N-dodecylquinolin-2-amine
CID 160510159
N-(2-phenylethyl)quinolin-2-amine
CID 29300407
5-methoxy-N-(3-phenoxypropyl)pyridin-2-amine
CID 106504081
2-[2-hydroxyethyl-[3-(quinolin-2-ylamino)propyl]amino]ethanol
CID 21424676
6-(3-phenoxypropylamino)pyridine-2-carboxylic acid
CID 62380614
2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine
CID 80827502
N-cyclopropyl-N'-quinolin-2-ylpropane-1,3-diamine
CID 43599624
6-hydrazinyl-N-(3-phenoxypropyl)pyrazin-2-amine
CID 80918884
6-(3-phenoxypropylamino)pyridine-3-carbonitrile
CID 60706290

Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxypropyl)quinolin-2-amine?
The IUPAC name of N-(3-phenoxypropyl)quinolin-2-amine (CID 60678079) is N-(3-phenoxypropyl)quinolin-2-amine.
What is the SMILES notation for N-(3-phenoxypropyl)quinolin-2-amine?
The canonical SMILES for N-(3-phenoxypropyl)quinolin-2-amine is c1ccc(OCCCNc2ccc3ccccc3n2)cc1.
What is the InChIKey of N-(3-phenoxypropyl)quinolin-2-amine?
The InChIKey is SMMZGEHXECILMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-8-16(9-3-1)21-14-6-13-19-18-12-11-15-7-4-5-10-17(15)20-18/h1-5,7-12H,6,13-14H2,(H,19,20).
What are the key properties of N-(3-phenoxypropyl)quinolin-2-amine?
N-(3-phenoxypropyl)quinolin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxypropyl)quinolin-2-amine is sourced from PubChem (CID 60678079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).