3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine

C13H15FN2 — CID 81435594

IUPAC3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine
SMILESFCCCNCc1cccc2cccnc12
InChIInChI=1S/C13H15FN2/c14-7-3-8-15-10-12-5-1-4-11-6-2-9-16-13(11)12/h1-2,4-6,9,15H,3,7-8,10H2
InChIKeyBTTQZRDMAIHEQZ-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.68
Rot. Bonds5

About 3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine

3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine (PubChem CID 81435594) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine
PubChem CID81435594
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine
SMILESFCCCNCc1cccc2cccnc12
InChIInChI=1S/C13H15FN2/c14-7-3-8-15-10-12-5-1-4-11-6-2-9-16-13(11)12/h1-2,4-6,9,15H,3,7-8,10H2
InChIKeyBTTQZRDMAIHEQZ-UHFFFAOYSA-N
XLogP2.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793
6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine
CID 107845431
5-(quinolin-8-ylmethylamino)pentan-1-ol
CID 81427382
2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine
CID 28608711
2-[(2-quinolin-8-ylethylamino)methyl]phenol
CID 78916472
N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine
CID 78921379
2-(quinolin-8-ylmethylamino)ethyl carbamate
CID 83209261
1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine
CID 78980832
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065
N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine
CID 81428748
2-chloro-N-(quinolin-8-ylmethyl)prop-2-en-1-amine
CID 79003767
N'-cyclopentyl-N'-methyl-N-(quinolin-8-ylmethyl)ethane-1,2-diamine
CID 63314495

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine?
The IUPAC name of 3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine (CID 81435594) is 3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine?
The canonical SMILES for 3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine is FCCCNCc1cccc2cccnc12.
What is the InChIKey of 3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine?
The InChIKey is BTTQZRDMAIHEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c14-7-3-8-15-10-12-5-1-4-11-6-2-9-16-13(11)12/h1-2,4-6,9,15H,3,7-8,10H2.
What are the key properties of 3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine?
3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine has a molecular weight of 218.28 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine is sourced from PubChem (CID 81435594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).