1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-amine

C12H14F3N — CID 115037065

IUPAC1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCC1(N)CCCc2c(C(F)(F)F)cccc21
InChIInChI=1S/C12H14F3N/c1-11(16)7-3-4-8-9(11)5-2-6-10(8)12(13,14)15/h2,5-6H,3-4,7,16H2,1H3
InChIKeyHCADYDRTZUWWPO-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.22
Rot. Bonds

About 1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-amine

1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 115037065) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID115037065
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCC1(N)CCCc2c(C(F)(F)F)cccc21
InChIInChI=1S/C12H14F3N/c1-11(16)7-3-4-8-9(11)5-2-6-10(8)12(13,14)15/h2,5-6H,3-4,7,16H2,1H3
InChIKeyHCADYDRTZUWWPO-UHFFFAOYSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 83753287
1-amino-1-methyl-2,3-dihydroinden-4-ol
CID 84716941
4-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 126626843
1-tert-butyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene
CID 162694173
1-(trifluoromethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 169495028
2-amino-2-[2-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 139573709
4-fluoro-8-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene
CID 84736314
4-amino-4-[2-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 115048005
(1R)-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 156594473
1-[2-amino-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 117104301
[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopentyl]methanamine
CID 117396517
1-[2-chloro-6-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 117413992

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-amine (CID 115037065) is 1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-amine is CC1(N)CCCc2c(C(F)(F)F)cccc21.
What is the InChIKey of 1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is HCADYDRTZUWWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-11(16)7-3-4-8-9(11)5-2-6-10(8)12(13,14)15/h2,5-6H,3-4,7,16H2,1H3.
What are the key properties of 1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-amine?
1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 229.25 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 115037065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).