N-[[2-(ethoxymethoxy)-5-methoxyphenyl]methyl]propan-2-amine

C14H23NO3 — CID 65364769

IUPACN-[[2-(ethoxymethoxy)-5-methoxyphenyl]methyl]propan-2-amine
SMILESCCOCOc1ccc(OC)cc1CNC(C)C
InChIInChI=1S/C14H23NO3/c1-5-17-10-18-14-7-6-13(16-4)8-12(14)9-15-11(2)3/h6-8,11,15H,5,9-10H2,1-4H3
InChIKeyNTQZTYRHKUPOKR-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.57
Rot. Bonds8

About N-[[2-(ethoxymethoxy)-5-methoxyphenyl]methyl]propan-2-amine

N-[[2-(ethoxymethoxy)-5-methoxyphenyl]methyl]propan-2-amine (PubChem CID 65364769) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[[2-(ethoxymethoxy)-5-methoxyphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(ethoxymethoxy)-5-methoxyphenyl]methyl]propan-2-amine
PubChem CID65364769
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-[[2-(ethoxymethoxy)-5-methoxyphenyl]methyl]propan-2-amine
SMILESCCOCOc1ccc(OC)cc1CNC(C)C
InChIInChI=1S/C14H23NO3/c1-5-17-10-18-14-7-6-13(16-4)8-12(14)9-15-11(2)3/h6-8,11,15H,5,9-10H2,1-4H3
InChIKeyNTQZTYRHKUPOKR-UHFFFAOYSA-N
XLogP2.57
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine
CID 43276423
1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine
CID 65369886
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine
CID 81106019
4-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanenitrile
CID 60878158
N-[[2-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]propan-2-amine
CID 60878155
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43276444
N-[(2,5-dimethoxyphenyl)methyl]butan-2-amine
CID 43177332
N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 61267266
1-(2-ethoxy-5-methoxyphenyl)-N-methylmethanamine
CID 43276259
N-[[5-methoxy-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methyl]propan-2-amine
CID 116614941
N-[[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]methyl]propan-2-amine
CID 60878720
4-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-2,2-dimethylbutanenitrile
CID 65249887

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethoxy)-5-methoxyphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(ethoxymethoxy)-5-methoxyphenyl]methyl]propan-2-amine (CID 65364769) is N-[[2-(ethoxymethoxy)-5-methoxyphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(ethoxymethoxy)-5-methoxyphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(ethoxymethoxy)-5-methoxyphenyl]methyl]propan-2-amine is CCOCOc1ccc(OC)cc1CNC(C)C.
What is the InChIKey of N-[[2-(ethoxymethoxy)-5-methoxyphenyl]methyl]propan-2-amine?
The InChIKey is NTQZTYRHKUPOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-17-10-18-14-7-6-13(16-4)8-12(14)9-15-11(2)3/h6-8,11,15H,5,9-10H2,1-4H3.
What are the key properties of N-[[2-(ethoxymethoxy)-5-methoxyphenyl]methyl]propan-2-amine?
N-[[2-(ethoxymethoxy)-5-methoxyphenyl]methyl]propan-2-amine has a molecular weight of 253.34 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethoxy)-5-methoxyphenyl]methyl]propan-2-amine is sourced from PubChem (CID 65364769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).