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

C18H31NO2 — CID 63487393

IUPACN-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCCCCCCOc1c(CNCC(C)C)cccc1OC
InChIInChI=1S/C18H31NO2/c1-5-6-7-8-12-21-18-16(14-19-13-15(2)3)10-9-11-17(18)20-4/h9-11,15,19H,5-8,12-14H2,1-4H3
InChIKeySBKOFKNYGOYETD-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.40
Rot. Bonds11

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

N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 63487393) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
PubChem CID63487393
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCCCCCCOc1c(CNCC(C)C)cccc1OC
InChIInChI=1S/C18H31NO2/c1-5-6-7-8-12-21-18-16(14-19-13-15(2)3)10-9-11-17(18)20-4/h9-11,15,19H,5-8,12-14H2,1-4H3
InChIKeySBKOFKNYGOYETD-UHFFFAOYSA-N
XLogP4.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.40
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-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805393
N-[(3-methoxy-2-octoxyphenyl)methyl]propan-1-amine
CID 54804925
N-[(3-bromo-2-heptoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487238
1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 54803574
N-[(2-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63056606
3-[(2-heptoxy-3-methoxyphenyl)methylamino]propan-1-ol
CID 54849124
N-[[2-(ethoxymethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65369404
N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804200
N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine
CID 54849405
N-[(2-hexoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848693
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54847674
1-(bromomethyl)-2-decoxy-3-methoxybenzene
CID 63536547

Frequently Asked Questions

What is the IUPAC name of N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine (CID 63487393) is N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine is CCCCCCOc1c(CNCC(C)C)cccc1OC.
What is the InChIKey of N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is SBKOFKNYGOYETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-6-7-8-12-21-18-16(14-19-13-15(2)3)10-9-11-17(18)20-4/h9-11,15,19H,5-8,12-14H2,1-4H3.
What are the key properties of N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine?
N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.40, 11 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]-2-methylpropan-1-amine is sourced from PubChem (CID 63487393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).