2-(1-ethoxypropan-2-yloxy)-N-methyl-1-naphthalen-1-ylethanamine

C18H25NO2 — CID 103487413

IUPAC2-(1-ethoxypropan-2-yloxy)-N-methyl-1-naphthalen-1-ylethanamine
SMILESCCOCC(C)OCC(NC)c1cccc2ccccc12
InChIInChI=1S/C18H25NO2/c1-4-20-12-14(2)21-13-18(19-3)17-11-7-9-15-8-5-6-10-16(15)17/h5-11,14,18-19H,4,12-13H2,1-3H3
InChIKeyPTVZNGMHXQPTCD-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.54
Rot. Bonds8

About 2-(1-ethoxypropan-2-yloxy)-N-methyl-1-naphthalen-1-ylethanamine

2-(1-ethoxypropan-2-yloxy)-N-methyl-1-naphthalen-1-ylethanamine (PubChem CID 103487413) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-(1-ethoxypropan-2-yloxy)-N-methyl-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name2-(1-ethoxypropan-2-yloxy)-N-methyl-1-naphthalen-1-ylethanamine
PubChem CID103487413
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-(1-ethoxypropan-2-yloxy)-N-methyl-1-naphthalen-1-ylethanamine
SMILESCCOCC(C)OCC(NC)c1cccc2ccccc12
InChIInChI=1S/C18H25NO2/c1-4-20-12-14(2)21-13-18(19-3)17-11-7-9-15-8-5-6-10-16(15)17/h5-11,14,18-19H,4,12-13H2,1-3H3
InChIKeyPTVZNGMHXQPTCD-UHFFFAOYSA-N
XLogP3.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,6S)-6-Benzhydryl-N-(naphthalen-1-ylmethyl)tetrahydro-2H-pyran-3-amine
CID 52951851
Naphthalene, 1-(2-hydroxy-3-isopropylamino)propyloxy-
CID 31537
1-Naphthaleneethanol, alpha-((isopropylamino)methyl)-, hydrochloride
CID 31536
1-methoxy-N-(naphthalen-1-ylmethyl)propan-2-amine
CID 2852983
(2-Methoxyethyl)[(naphthalen-1-yl)methyl]amine
CID 3837636
1-[[(1R)-1-naphthalen-1-ylethyl]amino]-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 134843424
(2-Methoxy-1-methylethyl)(2-naphthylmethyl)amine
CID 6456452
N-[(1S)-2-(methoxymethoxy)-1-naphthalen-2-ylethyl]acetamide
CID 10826122
N-(naphthalen-1-ylmethyl)-1-[(2R)-oxolan-2-yl]methanamine
CID 964929
(Naphthylmethyl)(oxolan-2-ylmethyl)amine
CID 3156809
(2S)-3-methoxy-2-naphthalen-2-yl-2,5-dihydro-1H-pyrrole
CID 102375989
3-Methyl-5-(2'-naphthyl)morpholin-2-one
CID 129800393

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropan-2-yloxy)-N-methyl-1-naphthalen-1-ylethanamine?
The IUPAC name of 2-(1-ethoxypropan-2-yloxy)-N-methyl-1-naphthalen-1-ylethanamine (CID 103487413) is 2-(1-ethoxypropan-2-yloxy)-N-methyl-1-naphthalen-1-ylethanamine.
What is the SMILES notation for 2-(1-ethoxypropan-2-yloxy)-N-methyl-1-naphthalen-1-ylethanamine?
The canonical SMILES for 2-(1-ethoxypropan-2-yloxy)-N-methyl-1-naphthalen-1-ylethanamine is CCOCC(C)OCC(NC)c1cccc2ccccc12.
What is the InChIKey of 2-(1-ethoxypropan-2-yloxy)-N-methyl-1-naphthalen-1-ylethanamine?
The InChIKey is PTVZNGMHXQPTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-4-20-12-14(2)21-13-18(19-3)17-11-7-9-15-8-5-6-10-16(15)17/h5-11,14,18-19H,4,12-13H2,1-3H3.
What are the key properties of 2-(1-ethoxypropan-2-yloxy)-N-methyl-1-naphthalen-1-ylethanamine?
2-(1-ethoxypropan-2-yloxy)-N-methyl-1-naphthalen-1-ylethanamine has a molecular weight of 287.40 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropan-2-yloxy)-N-methyl-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 103487413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).