N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine

C20H35NO2 — CID 54805393

IUPACN-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
SMILESCCCCCCNCc1cccc(OC)c1OCCCCCC
InChIInChI=1S/C20H35NO2/c1-4-6-8-10-15-21-17-18-13-12-14-19(22-3)20(18)23-16-11-9-7-5-2/h12-14,21H,4-11,15-17H2,1-3H3
InChIKeyABGZWBXIWANGAW-UHFFFAOYSA-N
MW321.50 g/mol
LogP5.32
Rot. Bonds14

About N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine

N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine (PubChem CID 54805393) has the molecular formula C20H35NO2 and a molecular weight of 321.50 g/mol. Its IUPAC name is N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
PubChem CID54805393
Molecular FormulaC20H35NO2
Molecular Weight321.50 g/mol
Exact Mass321.27
IUPAC NameN-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
SMILESCCCCCCNCc1cccc(OC)c1OCCCCCC
InChIInChI=1S/C20H35NO2/c1-4-6-8-10-15-21-17-18-13-12-14-19(22-3)20(18)23-16-11-9-7-5-2/h12-14,21H,4-11,15-17H2,1-3H3
InChIKeyABGZWBXIWANGAW-UHFFFAOYSA-N
XLogP5.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.50
LogP ≤ 55.32
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-[(3-methoxy-2-octoxyphenyl)methyl]propan-1-amine
CID 54804925
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54847674
3-[(2-heptoxy-3-methoxyphenyl)methylamino]propan-1-ol
CID 54849124
N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine
CID 54807521
N-[(3-methoxy-2-pentoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 54804480
1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 54803574
N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487393
N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 54807813
N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methyl]butan-1-amine
CID 54805198
N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804200
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride
CID 17331211
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798

Frequently Asked Questions

What is the IUPAC name of N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine?
The IUPAC name of N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine (CID 54805393) is N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine.
What is the SMILES notation for N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine?
The canonical SMILES for N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine is CCCCCCNCc1cccc(OC)c1OCCCCCC.
What is the InChIKey of N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine?
The InChIKey is ABGZWBXIWANGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2/c1-4-6-8-10-15-21-17-18-13-12-14-19(22-3)20(18)23-16-11-9-7-5-2/h12-14,21H,4-11,15-17H2,1-3H3.
What are the key properties of N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine?
N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine has a molecular weight of 321.50 g/mol, XLogP of 5.32, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine is sourced from PubChem (CID 54805393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).