N-ethyl-2,2-dimethyl-3-naphthalen-1-yloxypropan-1-amine

C17H23NO — CID 79626722

IUPACN-ethyl-2,2-dimethyl-3-naphthalen-1-yloxypropan-1-amine
SMILESCCNCC(C)(C)COc1cccc2ccccc12
InChIInChI=1S/C17H23NO/c1-4-18-12-17(2,3)13-19-16-11-7-9-14-8-5-6-10-15(14)16/h5-11,18H,4,12-13H2,1-3H3
InChIKeyLFRJPUINDLOQAN-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.85
Rot. Bonds6

About N-ethyl-2,2-dimethyl-3-naphthalen-1-yloxypropan-1-amine

N-ethyl-2,2-dimethyl-3-naphthalen-1-yloxypropan-1-amine (PubChem CID 79626722) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-naphthalen-1-yloxypropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-naphthalen-1-yloxypropan-1-amine
PubChem CID79626722
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-ethyl-2,2-dimethyl-3-naphthalen-1-yloxypropan-1-amine
SMILESCCNCC(C)(C)COc1cccc2ccccc12
InChIInChI=1S/C17H23NO/c1-4-18-12-17(2,3)13-19-16-11-7-9-14-8-5-6-10-15(14)16/h5-11,18H,4,12-13H2,1-3H3
InChIKeyLFRJPUINDLOQAN-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine
CID 79626871
N-ethyl-3-(2-ethylphenoxy)-2,2-dimethylpropan-1-amine
CID 79627245
3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79628769
N-ethyl-2,2-dimethyl-3-(2-methylsulfanylphenoxy)propan-1-amine
CID 79627608
N-ethyl-2-methyl-2-naphthalen-1-yloxybutan-1-amine
CID 62354633
2-N'-ethyl-1-naphthalen-1-yloxypropane-2,2-diamine
CID 70608386
N-ethyl-2-methyl-3-naphthalen-1-yloxypropan-1-amine
CID 62460664
2,2-dimethyl-N-propyl-3-quinolin-5-yloxypropan-1-amine
CID 103045759
3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627540
3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627041
1-(1-bromonaphthalen-2-yl)oxy-3-(ethylamino)-2-methylpropan-2-ol
CID 66335501
1-(ethylamino)-2-methyl-3-quinolin-8-yloxypropan-2-ol
CID 66336093

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-naphthalen-1-yloxypropan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-3-naphthalen-1-yloxypropan-1-amine (CID 79626722) is N-ethyl-2,2-dimethyl-3-naphthalen-1-yloxypropan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-naphthalen-1-yloxypropan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-naphthalen-1-yloxypropan-1-amine is CCNCC(C)(C)COc1cccc2ccccc12.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-naphthalen-1-yloxypropan-1-amine?
The InChIKey is LFRJPUINDLOQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-18-12-17(2,3)13-19-16-11-7-9-14-8-5-6-10-15(14)16/h5-11,18H,4,12-13H2,1-3H3.
What are the key properties of N-ethyl-2,2-dimethyl-3-naphthalen-1-yloxypropan-1-amine?
N-ethyl-2,2-dimethyl-3-naphthalen-1-yloxypropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-3-naphthalen-1-yloxypropan-1-amine is sourced from PubChem (CID 79626722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).