7-fluoro-3-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

C14H20FN — CID 114834283

IUPAC7-fluoro-3-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CC(C)Cc2ccc(F)cc21
InChIInChI=1S/C14H20FN/c1-3-6-16-14-8-10(2)7-11-4-5-12(15)9-13(11)14/h4-5,9-10,14,16H,3,6-8H2,1-2H3
InChIKeyXSKHNCZNSVDZNP-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.45
Rot. Bonds3

About 7-fluoro-3-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

7-fluoro-3-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 114834283) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 7-fluoro-3-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-fluoro-3-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID114834283
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name7-fluoro-3-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CC(C)Cc2ccc(F)cc21
InChIInChI=1S/C14H20FN/c1-3-6-16-14-8-10(2)7-11-4-5-12(15)9-13(11)14/h4-5,9-10,14,16H,3,6-8H2,1-2H3
InChIKeyXSKHNCZNSVDZNP-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-propylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
CID 165459054
6-fluoro-2-methyl-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539052
3-(difluoromethoxy)-7-methyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63822639
2-ethyl-6-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114710775
4-fluoro-N-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
CID 105429571
6-fluoro-2-phenyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114710740
6-fluoro-2-methyl-N-(2-methylcyclopropyl)-2,3-dihydro-1H-inden-1-amine
CID 115716856
6,8-difluoro-2-methyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 61287922
8-fluoro-1,1-dioxo-N-propyl-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-amine
CID 102972259
7-fluoro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114713911
6-ethyl-3-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 63823010
7-fluoro-N-propyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713915

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-fluoro-3-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 114834283) is 7-fluoro-3-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-fluoro-3-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-fluoro-3-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCNC1CC(C)Cc2ccc(F)cc21.
What is the InChIKey of 7-fluoro-3-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is XSKHNCZNSVDZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-3-6-16-14-8-10(2)7-11-4-5-12(15)9-13(11)14/h4-5,9-10,14,16H,3,6-8H2,1-2H3.
What are the key properties of 7-fluoro-3-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
7-fluoro-3-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 114834283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).