2-fluoro-3-methyl-2-quinolin-5-ylbutan-1-amine

C14H17FN2 — CID 112566954

IUPAC2-fluoro-3-methyl-2-quinolin-5-ylbutan-1-amine
SMILESCC(C)C(F)(CN)c1cccc2ncccc12
InChIInChI=1S/C14H17FN2/c1-10(2)14(15,9-16)12-6-3-7-13-11(12)5-4-8-17-13/h3-8,10H,9,16H2,1-2H3
InChIKeyNALRTWNMLWBVPU-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.01
Rot. Bonds3

About 2-fluoro-3-methyl-2-quinolin-5-ylbutan-1-amine

2-fluoro-3-methyl-2-quinolin-5-ylbutan-1-amine (PubChem CID 112566954) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2-quinolin-5-ylbutan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methyl-2-quinolin-5-ylbutan-1-amine
PubChem CID112566954
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name2-fluoro-3-methyl-2-quinolin-5-ylbutan-1-amine
SMILESCC(C)C(F)(CN)c1cccc2ncccc12
InChIInChI=1S/C14H17FN2/c1-10(2)14(15,9-16)12-6-3-7-13-11(12)5-4-8-17-13/h3-8,10H,9,16H2,1-2H3
InChIKeyNALRTWNMLWBVPU-UHFFFAOYSA-N
XLogP3.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-3-methyl-2-quinolin-5-ylbutan-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

2,4-dimethyl-3-quinolin-5-ylpentan-3-ol
CID 112743447
3-amino-1,1,1-trifluoro-2-quinolin-5-ylpentan-2-ol
CID 81223759
4,4-difluoro-4-quinolin-5-ylbutan-2-one
CID 175262748
2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine
CID 112566875
N-ethyl-4-methyl-4-quinolin-5-ylpentan-2-amine
CID 81221548
(1R)-1-quinolin-5-ylethanamine
CID 55277010
1-quinolin-5-ylethane-1,2-diamine
CID 55275195
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
1-amino-2-methyl-1-quinolin-4-ylpropan-1-ol
CID 71255730
2-methylbutan-2-yl 4,4-difluoro-4-quinolin-5-ylbutanoate
CID 164578557
CID 158967293
CID 158967293
4-methyl-1-quinolin-5-ylpentan-1-amine
CID 81232092

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-2-quinolin-5-ylbutan-1-amine?
The IUPAC name of 2-fluoro-3-methyl-2-quinolin-5-ylbutan-1-amine (CID 112566954) is 2-fluoro-3-methyl-2-quinolin-5-ylbutan-1-amine.
What is the SMILES notation for 2-fluoro-3-methyl-2-quinolin-5-ylbutan-1-amine?
The canonical SMILES for 2-fluoro-3-methyl-2-quinolin-5-ylbutan-1-amine is CC(C)C(F)(CN)c1cccc2ncccc12.
What is the InChIKey of 2-fluoro-3-methyl-2-quinolin-5-ylbutan-1-amine?
The InChIKey is NALRTWNMLWBVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-10(2)14(15,9-16)12-6-3-7-13-11(12)5-4-8-17-13/h3-8,10H,9,16H2,1-2H3.
What are the key properties of 2-fluoro-3-methyl-2-quinolin-5-ylbutan-1-amine?
2-fluoro-3-methyl-2-quinolin-5-ylbutan-1-amine has a molecular weight of 232.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2-quinolin-5-ylbutan-1-amine is sourced from PubChem (CID 112566954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).