2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine

C14H18F3N — CID 113329778

IUPAC2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
SMILESCC1(C)CCc2ccccc2C1NCC(F)(F)F
InChIInChI=1S/C14H18F3N/c1-13(2)8-7-10-5-3-4-6-11(10)12(13)18-9-14(15,16)17/h3-6,12,18H,7-9H2,1-2H3
InChIKeyCCBQJHLDUIZXML-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.85
Rot. Bonds2

About 2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine

2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine (PubChem CID 113329778) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
PubChem CID113329778
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
SMILESCC1(C)CCc2ccccc2C1NCC(F)(F)F
InChIInChI=1S/C14H18F3N/c1-13(2)8-7-10-5-3-4-6-11(10)12(13)18-9-14(15,16)17/h3-6,12,18H,7-9H2,1-2H3
InChIKeyCCBQJHLDUIZXML-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-N-(4,4,4-trifluorobutyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115532219
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropane-1,2-diol
CID 115532149
1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 115531864
N-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531971
2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531808
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-1-ol
CID 113329785
(2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol
CID 114266891
N'-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)propane-1,3-diamine
CID 113329793
4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol
CID 113329803
5-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]pentan-1-ol
CID 104577689
2,2-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-dihydroinden-1-amine
CID 82814406
4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol
CID 106125002

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine (CID 113329778) is 2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine is CC1(C)CCc2ccccc2C1NCC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine?
The InChIKey is CCBQJHLDUIZXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-13(2)8-7-10-5-3-4-6-11(10)12(13)18-9-14(15,16)17/h3-6,12,18H,7-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine?
2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine has a molecular weight of 257.30 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 113329778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).