N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(1,4-oxazepan-4-yl)ethanamine

C17H28N2O2 — CID 154758902

IUPACN-[(2-ethoxyphenyl)methyl]-N-methyl-2-(1,4-oxazepan-4-yl)ethanamine
SMILESCCOc1ccccc1CN(C)CCN1CCCOCC1
InChIInChI=1S/C17H28N2O2/c1-3-21-17-8-5-4-7-16(17)15-18(2)10-11-19-9-6-13-20-14-12-19/h4-5,7-8H,3,6,9-15H2,1-2H3
InChIKeyPDBWJJFOIBVANJ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.24
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(1,4-oxazepan-4-yl)ethanamine

N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(1,4-oxazepan-4-yl)ethanamine (PubChem CID 154758902) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(1,4-oxazepan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-N-methyl-2-(1,4-oxazepan-4-yl)ethanamine
PubChem CID154758902
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[(2-ethoxyphenyl)methyl]-N-methyl-2-(1,4-oxazepan-4-yl)ethanamine
SMILESCCOc1ccccc1CN(C)CCN1CCCOCC1
InChIInChI=1S/C17H28N2O2/c1-3-21-17-8-5-4-7-16(17)15-18(2)10-11-19-9-6-13-20-14-12-19/h4-5,7-8H,3,6,9-15H2,1-2H3
InChIKeyPDBWJJFOIBVANJ-UHFFFAOYSA-N
XLogP2.24
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82980200
methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate
CID 60965925
[3-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 43174640
2-(2-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)acetamide
CID 110753277
1-[2-(2-ethoxyphenyl)ethyl]piperidine
CID 21117435
1-(2-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 62988321
N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 54983695
N-ethyl-2-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]ethanamine
CID 115464062
3-(4-chloro-3-methylphenyl)-1-[(2-ethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
CID 4087831
4-ethoxy-5-(2-morpholin-4-ylethoxy)fluoren-9-one
CID 19594681
2-[[N'-[(2-ethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364398
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(1,4-oxazepan-4-yl)ethanamine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(1,4-oxazepan-4-yl)ethanamine (CID 154758902) is N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(1,4-oxazepan-4-yl)ethanamine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(1,4-oxazepan-4-yl)ethanamine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(1,4-oxazepan-4-yl)ethanamine is CCOc1ccccc1CN(C)CCN1CCCOCC1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(1,4-oxazepan-4-yl)ethanamine?
The InChIKey is PDBWJJFOIBVANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-21-17-8-5-4-7-16(17)15-18(2)10-11-19-9-6-13-20-14-12-19/h4-5,7-8H,3,6,9-15H2,1-2H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(1,4-oxazepan-4-yl)ethanamine?
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(1,4-oxazepan-4-yl)ethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(1,4-oxazepan-4-yl)ethanamine is sourced from PubChem (CID 154758902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).