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

C14H19F2N — CID 113303571

IUPACN-(2,2-difluoroethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC1(C)CCC(NCC(F)F)c2ccccc21
InChIInChI=1S/C14H19F2N/c1-14(2)8-7-12(17-9-13(15)16)10-5-3-4-6-11(10)14/h3-6,12-13,17H,7-9H2,1-2H3
InChIKeyXTBCYESCWMAYOC-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.65
Rot. Bonds3

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

N-(2,2-difluoroethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine (PubChem CID 113303571) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
PubChem CID113303571
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-(2,2-difluoroethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC1(C)CCC(NCC(F)F)c2ccccc21
InChIInChI=1S/C14H19F2N/c1-14(2)8-7-12(17-9-13(15)16)10-5-3-4-6-11(10)14/h3-6,12-13,17H,7-9H2,1-2H3
InChIKeyXTBCYESCWMAYOC-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-methoxypropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 102695797
1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]ethanol
CID 63294204
N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147302
(2R)-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]propan-1-ol
CID 114985663
4,4-dimethyl-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-naphthalen-1-amine
CID 63455822
4,4-dimethyl-N-pent-3-ynyl-2,3-dihydro-1H-naphthalen-1-amine
CID 116642933
4,4-dimethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine
CID 43147420
N-(1-methoxypropan-2-yl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147335
N-[(4-chlorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147440
N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 43147385
N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 115615295
4,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine
CID 63378715

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine (CID 113303571) is N-(2,2-difluoroethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine is CC1(C)CCC(NCC(F)F)c2ccccc21.
What is the InChIKey of N-(2,2-difluoroethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The InChIKey is XTBCYESCWMAYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-14(2)8-7-12(17-9-13(15)16)10-5-3-4-6-11(10)14/h3-6,12-13,17H,7-9H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
N-(2,2-difluoroethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine has a molecular weight of 239.31 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 113303571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).