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

C13H18FN — CID 83988283

IUPAC1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
SMILESCCC(N)c1cc2c(cc1F)CCCC2
InChIInChI=1S/C13H18FN/c1-2-13(15)11-7-9-5-3-4-6-10(9)8-12(11)14/h7-8,13H,2-6,15H2,1H3
InChIKeyOKIHHJVRAGWHIJ-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.11
Rot. Bonds2

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

1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine (PubChem CID 83988283) 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-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
PubChem CID83988283
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
SMILESCCC(N)c1cc2c(cc1F)CCCC2
InChIInChI=1S/C13H18FN/c1-2-13(15)11-7-9-5-3-4-6-10(9)8-12(11)14/h7-8,13H,2-6,15H2,1H3
InChIKeyOKIHHJVRAGWHIJ-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-3-(6-fluoro-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 117319388
2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 117297813
1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 117296655
1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 112693699
(1S)-1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 131118917
4-[(1R)-1-aminopropyl]-2,5-difluorophenol
CID 55274209
4-[(1S)-1-aminopropyl]-2-chloro-5-fluoroaniline
CID 130783670
(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine
CID 58878078
(1S)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-amine
CID 130644887
2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 117283969
(2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 66514299
(1S)-1-[4-(difluoromethyl)-2-fluorophenyl]propan-1-amine
CID 131406912

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine?
The IUPAC name of 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine (CID 83988283) is 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine?
The canonical SMILES for 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine is CCC(N)c1cc2c(cc1F)CCCC2.
What is the InChIKey of 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine?
The InChIKey is OKIHHJVRAGWHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-2-13(15)11-7-9-5-3-4-6-10(9)8-12(11)14/h7-8,13H,2-6,15H2,1H3.
What are the key properties of 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine?
1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 3.11, 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-1-amine is sourced from PubChem (CID 83988283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).