N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine

C14H23NO2 — CID 4717598

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCCOc1cc(CNCC(C)C)ccc1OC
InChIInChI=1S/C14H23NO2/c1-5-17-14-8-12(6-7-13(14)16-4)10-15-9-11(2)3/h6-8,11,15H,5,9-10H2,1-4H3
InChIKeyGNSCAFMFLMZXJX-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.84
Rot. Bonds7

About N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine

N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 4717598) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
PubChem CID4717598
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCCOc1cc(CNCC(C)C)ccc1OC
InChIInChI=1S/C14H23NO2/c1-5-17-14-8-12(6-7-13(14)16-4)10-15-9-11(2)3/h6-8,11,15H,5,9-10H2,1-4H3
InChIKeyGNSCAFMFLMZXJX-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(3-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 51432607
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 22226486
N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65176463
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206743
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 29227521
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[[4-(2,2-difluoroethoxy)-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63058247
N-[[3-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 81106033
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N-[[3-ethoxy-4-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63056898
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 60657358
N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 82224262

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine (CID 4717598) is N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine is CCOc1cc(CNCC(C)C)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is GNSCAFMFLMZXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-17-14-8-12(6-7-13(14)16-4)10-15-9-11(2)3/h6-8,11,15H,5,9-10H2,1-4H3.
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine?
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 4717598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).