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

C16H22F3N — CID 115532219

IUPAC2,2-dimethyl-N-(4,4,4-trifluorobutyl)-3,4-dihydro-1H-naphthalen-1-amine
SMILESCC1(C)CCc2ccccc2C1NCCCC(F)(F)F
InChIInChI=1S/C16H22F3N/c1-15(2)10-8-12-6-3-4-7-13(12)14(15)20-11-5-9-16(17,18)19/h3-4,6-7,14,20H,5,8-11H2,1-2H3
InChIKeyMOCBJOPNZDPUKU-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.63
Rot. Bonds4

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

2,2-dimethyl-N-(4,4,4-trifluorobutyl)-3,4-dihydro-1H-naphthalen-1-amine (PubChem CID 115532219) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4,4,4-trifluorobutyl)-3,4-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(4,4,4-trifluorobutyl)-3,4-dihydro-1H-naphthalen-1-amine
PubChem CID115532219
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name2,2-dimethyl-N-(4,4,4-trifluorobutyl)-3,4-dihydro-1H-naphthalen-1-amine
SMILESCC1(C)CCc2ccccc2C1NCCCC(F)(F)F
InChIInChI=1S/C16H22F3N/c1-15(2)10-8-12-6-3-4-7-13(12)14(15)20-11-5-9-16(17,18)19/h3-4,6-7,14,20H,5,8-11H2,1-2H3
InChIKeyMOCBJOPNZDPUKU-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329778
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-1-ol
CID 113329785
N'-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)propane-1,3-diamine
CID 113329793
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
2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531808
4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol
CID 113329803
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531836
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
(2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol
CID 114266891
N-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531971

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4,4,4-trifluorobutyl)-3,4-dihydro-1H-naphthalen-1-amine?
The IUPAC name of 2,2-dimethyl-N-(4,4,4-trifluorobutyl)-3,4-dihydro-1H-naphthalen-1-amine (CID 115532219) is 2,2-dimethyl-N-(4,4,4-trifluorobutyl)-3,4-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(4,4,4-trifluorobutyl)-3,4-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(4,4,4-trifluorobutyl)-3,4-dihydro-1H-naphthalen-1-amine is CC1(C)CCc2ccccc2C1NCCCC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-(4,4,4-trifluorobutyl)-3,4-dihydro-1H-naphthalen-1-amine?
The InChIKey is MOCBJOPNZDPUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-15(2)10-8-12-6-3-4-7-13(12)14(15)20-11-5-9-16(17,18)19/h3-4,6-7,14,20H,5,8-11H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-(4,4,4-trifluorobutyl)-3,4-dihydro-1H-naphthalen-1-amine?
2,2-dimethyl-N-(4,4,4-trifluorobutyl)-3,4-dihydro-1H-naphthalen-1-amine has a molecular weight of 285.35 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4,4,4-trifluorobutyl)-3,4-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 115532219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).