6-methoxy-2-[(2-methoxyphenyl)methyl]-N-propan-2-ylhexan-1-amine

C18H31NO2 — CID 104649283

IUPAC6-methoxy-2-[(2-methoxyphenyl)methyl]-N-propan-2-ylhexan-1-amine
SMILESCOCCCCC(CNC(C)C)Cc1ccccc1OC
InChIInChI=1S/C18H31NO2/c1-15(2)19-14-16(9-7-8-12-20-3)13-17-10-5-6-11-18(17)21-4/h5-6,10-11,15-16,19H,7-9,12-14H2,1-4H3
InChIKeyDHQIAOVHBXZSQE-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.67
Rot. Bonds11

About 6-methoxy-2-[(2-methoxyphenyl)methyl]-N-propan-2-ylhexan-1-amine

6-methoxy-2-[(2-methoxyphenyl)methyl]-N-propan-2-ylhexan-1-amine (PubChem CID 104649283) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 6-methoxy-2-[(2-methoxyphenyl)methyl]-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name6-methoxy-2-[(2-methoxyphenyl)methyl]-N-propan-2-ylhexan-1-amine
PubChem CID104649283
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name6-methoxy-2-[(2-methoxyphenyl)methyl]-N-propan-2-ylhexan-1-amine
SMILESCOCCCCC(CNC(C)C)Cc1ccccc1OC
InChIInChI=1S/C18H31NO2/c1-15(2)19-14-16(9-7-8-12-20-3)13-17-10-5-6-11-18(17)21-4/h5-6,10-11,15-16,19H,7-9,12-14H2,1-4H3
InChIKeyDHQIAOVHBXZSQE-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
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

2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62528121
N-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine
CID 62514235
2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine
CID 104649208
2-[(2-methoxyphenyl)methyl]-N-methyl-4-propan-2-yloxybutan-1-amine
CID 62516668
2-(methoxymethyl)-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 103984383
2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine
CID 65180423
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
N-[2-(2-methoxyethoxy)-2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 62108685
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 65487307
2-[(2-chlorophenyl)methyl]-6-methyl-N-propan-2-ylheptan-1-amine
CID 83169774
2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 55196988

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(2-methoxyphenyl)methyl]-N-propan-2-ylhexan-1-amine?
The IUPAC name of 6-methoxy-2-[(2-methoxyphenyl)methyl]-N-propan-2-ylhexan-1-amine (CID 104649283) is 6-methoxy-2-[(2-methoxyphenyl)methyl]-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 6-methoxy-2-[(2-methoxyphenyl)methyl]-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 6-methoxy-2-[(2-methoxyphenyl)methyl]-N-propan-2-ylhexan-1-amine is COCCCCC(CNC(C)C)Cc1ccccc1OC.
What is the InChIKey of 6-methoxy-2-[(2-methoxyphenyl)methyl]-N-propan-2-ylhexan-1-amine?
The InChIKey is DHQIAOVHBXZSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-15(2)19-14-16(9-7-8-12-20-3)13-17-10-5-6-11-18(17)21-4/h5-6,10-11,15-16,19H,7-9,12-14H2,1-4H3.
What are the key properties of 6-methoxy-2-[(2-methoxyphenyl)methyl]-N-propan-2-ylhexan-1-amine?
6-methoxy-2-[(2-methoxyphenyl)methyl]-N-propan-2-ylhexan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.67, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(2-methoxyphenyl)methyl]-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 104649283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).