N-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine

C16H27NO2 — CID 65050188

IUPACN-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
SMILESCCOc1ccccc1C(C)NC(COC)C(C)C
InChIInChI=1S/C16H27NO2/c1-6-19-16-10-8-7-9-14(16)13(4)17-15(11-18-5)12(2)3/h7-10,12-13,15,17H,6,11H2,1-5H3
InChIKeyDRXPMHWZTRYMJZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.41
Rot. Bonds8

About N-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine

N-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine (PubChem CID 65050188) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
PubChem CID65050188
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
SMILESCCOc1ccccc1C(C)NC(COC)C(C)C
InChIInChI=1S/C16H27NO2/c1-6-19-16-10-8-7-9-14(16)13(4)17-15(11-18-5)12(2)3/h7-10,12-13,15,17H,6,11H2,1-5H3
InChIKeyDRXPMHWZTRYMJZ-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol
CID 103786537
3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785533
N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43766762
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine
CID 81379133
N-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine
CID 114414920
N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine
CID 100555774
(2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol
CID 104980453
1-(2-ethoxyphenyl)-3-methoxy-2-methylpropan-1-ol
CID 115624872
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine
CID 43787074
1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81400310
1-(2-ethoxyphenyl)-4-methoxy-N,3-dimethylbutan-1-amine
CID 105145062
N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 43190017

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine?
The IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine (CID 65050188) is N-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine?
The canonical SMILES for N-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine is CCOc1ccccc1C(C)NC(COC)C(C)C.
What is the InChIKey of N-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine?
The InChIKey is DRXPMHWZTRYMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-19-16-10-8-7-9-14(16)13(4)17-15(11-18-5)12(2)3/h7-10,12-13,15,17H,6,11H2,1-5H3.
What are the key properties of N-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine?
N-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 65050188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).