2-ethoxy-N-[1-(2-methoxyphenyl)propyl]-2-methylpropan-1-amine

C16H27NO2 — CID 114940978

IUPAC2-ethoxy-N-[1-(2-methoxyphenyl)propyl]-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNC(CC)c1ccccc1OC
InChIInChI=1S/C16H27NO2/c1-6-14(17-12-16(3,4)19-7-2)13-10-8-9-11-15(13)18-5/h8-11,14,17H,6-7,12H2,1-5H3
InChIKeyPKBLPOCDEJQZAK-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.55
Rot. Bonds8

About 2-ethoxy-N-[1-(2-methoxyphenyl)propyl]-2-methylpropan-1-amine

2-ethoxy-N-[1-(2-methoxyphenyl)propyl]-2-methylpropan-1-amine (PubChem CID 114940978) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-ethoxy-N-[1-(2-methoxyphenyl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-[1-(2-methoxyphenyl)propyl]-2-methylpropan-1-amine
PubChem CID114940978
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-ethoxy-N-[1-(2-methoxyphenyl)propyl]-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNC(CC)c1ccccc1OC
InChIInChI=1S/C16H27NO2/c1-6-14(17-12-16(3,4)19-7-2)13-10-8-9-11-15(13)18-5/h8-11,14,17H,6-7,12H2,1-5H3
InChIKeyPKBLPOCDEJQZAK-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(2-methoxyphenyl)propylamino]methyl]pentan-3-ol
CID 65108193
3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103917225
2,2-difluoro-3-[1-(2-methoxyphenyl)propylamino]propan-1-ol
CID 113463328
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153
1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
CID 43776231
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-3-methylbutan-1-amine
CID 103024885
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
5-[1-(2-methoxyphenyl)propylamino]pentan-1-ol
CID 103913240
N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine
CID 115900226
3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol
CID 65337762

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-(2-methoxyphenyl)propyl]-2-methylpropan-1-amine?
The IUPAC name of 2-ethoxy-N-[1-(2-methoxyphenyl)propyl]-2-methylpropan-1-amine (CID 114940978) is 2-ethoxy-N-[1-(2-methoxyphenyl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-ethoxy-N-[1-(2-methoxyphenyl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for 2-ethoxy-N-[1-(2-methoxyphenyl)propyl]-2-methylpropan-1-amine is CCOC(C)(C)CNC(CC)c1ccccc1OC.
What is the InChIKey of 2-ethoxy-N-[1-(2-methoxyphenyl)propyl]-2-methylpropan-1-amine?
The InChIKey is PKBLPOCDEJQZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-14(17-12-16(3,4)19-7-2)13-10-8-9-11-15(13)18-5/h8-11,14,17H,6-7,12H2,1-5H3.
What are the key properties of 2-ethoxy-N-[1-(2-methoxyphenyl)propyl]-2-methylpropan-1-amine?
2-ethoxy-N-[1-(2-methoxyphenyl)propyl]-2-methylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-(2-methoxyphenyl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114940978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).