1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpentan-2-amine

C17H29NO2 — CID 60865170

IUPAC1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(OC)c(OC)c1)CC(C)C
InChIInChI=1S/C17H29NO2/c1-6-9-18-15(10-13(2)3)11-14-7-8-16(19-4)17(12-14)20-5/h7-8,12-13,15,18H,6,9-11H2,1-5H3
InChIKeyOKAUHZMBZWUIKD-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.66
Rot. Bonds9

About 1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpentan-2-amine

1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpentan-2-amine (PubChem CID 60865170) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpentan-2-amine
PubChem CID60865170
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(OC)c(OC)c1)CC(C)C
InChIInChI=1S/C17H29NO2/c1-6-9-18-15(10-13(2)3)11-14-7-8-16(19-4)17(12-14)20-5/h7-8,12-13,15,18H,6,9-11H2,1-5H3
InChIKeyOKAUHZMBZWUIKD-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-4-methyl-N-propylpentan-2-amine
CID 63412972
1-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 43200450
methyl 4-(3,4-dimethoxyphenyl)-3-(propylamino)butanoate
CID 82351427
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 65458593
1-(3,4-dimethoxyphenyl)-2-methyl-N-propylhexan-3-amine
CID 83052232
4-(2-bromo-4-methylpentyl)-1,2-dimethoxybenzene
CID 55148976
1-(3-fluoro-4-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131905
1-(3,4-dimethoxyphenyl)-N,4,5,5-tetramethylhexan-2-amine
CID 63834170
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylheptan-3-amine
CID 43100737
1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine
CID 107664411
1-(3,4-dimethylphenyl)-4-ethyl-N-propylhexan-2-amine
CID 82923315

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpentan-2-amine (CID 60865170) is 1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpentan-2-amine is CCCNC(Cc1ccc(OC)c(OC)c1)CC(C)C.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpentan-2-amine?
The InChIKey is OKAUHZMBZWUIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-9-18-15(10-13(2)3)11-14-7-8-16(19-4)17(12-14)20-5/h7-8,12-13,15,18H,6,9-11H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpentan-2-amine?
1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpentan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 60865170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).