1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine

C13H18FN — CID 117296655

IUPAC1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
SMILESCC(N)Cc1cc2c(cc1F)CCCC2
InChIInChI=1S/C13H18FN/c1-9(15)6-12-7-10-4-2-3-5-11(10)8-13(12)14/h7-9H,2-6,15H2,1H3
InChIKeyONCBNWUBQPIGCW-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.59
Rot. Bonds2

About 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine

1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine (PubChem CID 117296655) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
PubChem CID117296655
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
SMILESCC(N)Cc1cc2c(cc1F)CCCC2
InChIInChI=1S/C13H18FN/c1-9(15)6-12-7-10-4-2-3-5-11(10)8-13(12)14/h7-9H,2-6,15H2,1H3
InChIKeyONCBNWUBQPIGCW-UHFFFAOYSA-N
XLogP2.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-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-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 117283969
1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 83988283
1-(5-chloro-2,4-difluorophenyl)propan-2-amine
CID 117294361
4-(2-aminopropyl)-5-fluoro-2-methylphenol
CID 117279524
1-(5-chloro-2-fluoro-4-methylphenyl)propan-2-amine
CID 117290515
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 117297813
1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine
CID 117285738
1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-amine
CID 117291412
3-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal
CID 117294882
1-(6-bromo-2,3-dihydro-1H-inden-4-yl)propan-2-amine
CID 117388145
[2-(2-aminopropyl)-4,5-difluorophenyl]methanol
CID 117289921

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine?
The IUPAC name of 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine (CID 117296655) is 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine?
The canonical SMILES for 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine is CC(N)Cc1cc2c(cc1F)CCCC2.
What is the InChIKey of 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine?
The InChIKey is ONCBNWUBQPIGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9(15)6-12-7-10-4-2-3-5-11(10)8-13(12)14/h7-9H,2-6,15H2,1H3.
What are the key properties of 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine?
1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine has a molecular weight of 207.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine is sourced from PubChem (CID 117296655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).