5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine

C18H31NO2 — CID 62514571

IUPAC5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
SMILESCOCCCC(CNCC(C)C)Cc1cccc(OC)c1
InChIInChI=1S/C18H31NO2/c1-15(2)13-19-14-17(8-6-10-20-3)11-16-7-5-9-18(12-16)21-4/h5,7,9,12,15,17,19H,6,8,10-11,13-14H2,1-4H3
InChIKeyCUMWNAQVEATWEY-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.53
Rot. Bonds11

About 5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine

5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine (PubChem CID 62514571) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
PubChem CID62514571
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
SMILESCOCCCC(CNCC(C)C)Cc1cccc(OC)c1
InChIInChI=1S/C18H31NO2/c1-15(2)13-19-14-17(8-6-10-20-3)11-16-7-5-9-18(12-16)21-4/h5,7,9,12,15,17,19H,6,8,10-11,13-14H2,1-4H3
InChIKeyCUMWNAQVEATWEY-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63521216
1-[2-(bromomethyl)-5-methoxypentyl]-3-methoxybenzene
CID 66041333
2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine
CID 83148145
5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine
CID 65180749
2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine
CID 62530667
4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 55210216
2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
CID 62514731
1-[2-(chloromethyl)-4-methoxybutyl]-3-methoxybenzene
CID 66050110
N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62530770
2-[(3-chlorophenyl)methyl]-3-methoxy-N-(2-methylpropyl)propan-1-amine
CID 103984352
1-[2-(chloromethyl)-3-methoxypropyl]-3-methoxybenzene
CID 103985127
2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649362

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine (CID 62514571) is 5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine is COCCCC(CNCC(C)C)Cc1cccc(OC)c1.
What is the InChIKey of 5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is CUMWNAQVEATWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-15(2)13-19-14-17(8-6-10-20-3)11-16-7-5-9-18(12-16)21-4/h5,7,9,12,15,17,19H,6,8,10-11,13-14H2,1-4H3.
What are the key properties of 5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine?
5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.53, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 62514571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).