N-[1-[1-(2,2-difluoroethoxy)naphthalen-2-yl]ethyl]propan-2-amine

C17H21F2NO — CID 60921222

IUPACN-[1-[1-(2,2-difluoroethoxy)naphthalen-2-yl]ethyl]propan-2-amine
SMILESCC(C)NC(C)c1ccc2ccccc2c1OCC(F)F
InChIInChI=1S/C17H21F2NO/c1-11(2)20-12(3)14-9-8-13-6-4-5-7-15(13)17(14)21-10-16(18)19/h4-9,11-12,16,20H,10H2,1-3H3
InChIKeyGYQFHGZUTAKACQ-UHFFFAOYSA-N
MW293.36 g/mol
LogP4.54
Rot. Bonds6

About N-[1-[1-(2,2-difluoroethoxy)naphthalen-2-yl]ethyl]propan-2-amine

N-[1-[1-(2,2-difluoroethoxy)naphthalen-2-yl]ethyl]propan-2-amine (PubChem CID 60921222) has the molecular formula C17H21F2NO and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[1-[1-(2,2-difluoroethoxy)naphthalen-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-[1-(2,2-difluoroethoxy)naphthalen-2-yl]ethyl]propan-2-amine
PubChem CID60921222
Molecular FormulaC17H21F2NO
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-[1-[1-(2,2-difluoroethoxy)naphthalen-2-yl]ethyl]propan-2-amine
SMILESCC(C)NC(C)c1ccc2ccccc2c1OCC(F)F
InChIInChI=1S/C17H21F2NO/c1-11(2)20-12(3)14-9-8-13-6-4-5-7-15(13)17(14)21-10-16(18)19/h4-9,11-12,16,20H,10H2,1-3H3
InChIKeyGYQFHGZUTAKACQ-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[1-(3-fluoropropoxy)naphthalen-2-yl]ethyl]propan-2-amine
CID 81107375
1-[1-(2-ethylbutoxy)naphthalen-2-yl]-N-methylethanamine
CID 82926079
N-[1-[1-(2-methylpropoxy)naphthalen-2-yl]ethyl]cyclopropanamine
CID 43475302
N-[1-(1-propoxynaphthalen-2-yl)ethyl]cyclopropanamine
CID 43475308
1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine
CID 82927028
1-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-ol
CID 63928570
1-[1-[2-(dimethylamino)ethoxy]naphthalen-2-yl]-N-methylethanamine
CID 43475222
1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]-N-methylethanamine
CID 60888843
(1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol
CID 63365584
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol
CID 78954047
1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]-N-methylethanamine
CID 60888647
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol
CID 104881475

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,2-difluoroethoxy)naphthalen-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[1-[1-(2,2-difluoroethoxy)naphthalen-2-yl]ethyl]propan-2-amine (CID 60921222) is N-[1-[1-(2,2-difluoroethoxy)naphthalen-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[1-[1-(2,2-difluoroethoxy)naphthalen-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[1-[1-(2,2-difluoroethoxy)naphthalen-2-yl]ethyl]propan-2-amine is CC(C)NC(C)c1ccc2ccccc2c1OCC(F)F.
What is the InChIKey of N-[1-[1-(2,2-difluoroethoxy)naphthalen-2-yl]ethyl]propan-2-amine?
The InChIKey is GYQFHGZUTAKACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2NO/c1-11(2)20-12(3)14-9-8-13-6-4-5-7-15(13)17(14)21-10-16(18)19/h4-9,11-12,16,20H,10H2,1-3H3.
What are the key properties of N-[1-[1-(2,2-difluoroethoxy)naphthalen-2-yl]ethyl]propan-2-amine?
N-[1-[1-(2,2-difluoroethoxy)naphthalen-2-yl]ethyl]propan-2-amine has a molecular weight of 293.36 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,2-difluoroethoxy)naphthalen-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 60921222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).