N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine

C17H29NO2 — CID 54847865

IUPACN-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCCCCCOc1c(CNC(C)(C)C)cccc1OC
InChIInChI=1S/C17H29NO2/c1-6-7-8-12-20-16-14(13-18-17(2,3)4)10-9-11-15(16)19-5/h9-11,18H,6-8,12-13H2,1-5H3
InChIKeyAOVMIQFFSPCHAA-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.15
Rot. Bonds8

About N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine

N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 54847865) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine
PubChem CID54847865
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCCCCCOc1c(CNC(C)(C)C)cccc1OC
InChIInChI=1S/C17H29NO2/c1-6-7-8-12-20-16-14(13-18-17(2,3)4)10-9-11-15(16)19-5/h9-11,18H,6-8,12-13H2,1-5H3
InChIKeyAOVMIQFFSPCHAA-UHFFFAOYSA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-heptoxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 115954178
N-[(3-methoxy-2-octoxyphenyl)methyl]propan-1-amine
CID 54804925
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847891
N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805393
1-(4-tert-butylphenyl)-N-[(2-hexoxy-3-methoxyphenyl)methyl]methanamine
CID 54804594
N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804200
3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide
CID 63056770
N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine
CID 54849405
N-[(2-heptoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847955
1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 54803574
N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487393
1-(chloromethyl)-3-methoxy-2-nonoxybenzene
CID 43471649

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine (CID 54847865) is N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine is CCCCCOc1c(CNC(C)(C)C)cccc1OC.
What is the InChIKey of N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is AOVMIQFFSPCHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-7-8-12-20-16-14(13-18-17(2,3)4)10-9-11-15(16)19-5/h9-11,18H,6-8,12-13H2,1-5H3.
What are the key properties of N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine?
N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 54847865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).