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

C17H29NO2 — CID 43496056

IUPAC1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(OC)cc1OC)C(C)CCC
InChIInChI=1S/C17H29NO2/c1-6-8-13(3)17(18-11-7-2)15-10-9-14(19-4)12-16(15)20-5/h9-10,12-13,17-18H,6-8,11H2,1-5H3
InChIKeyNUMBUFWBLZBWNK-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.18
Rot. Bonds9

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

1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine (PubChem CID 43496056) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
PubChem CID43496056
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(OC)cc1OC)C(C)CCC
InChIInChI=1S/C17H29NO2/c1-6-8-13(3)17(18-11-7-2)15-10-9-14(19-4)12-16(15)20-5/h9-10,12-13,17-18H,6-8,11H2,1-5H3
InChIKeyNUMBUFWBLZBWNK-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 43495595
1-(2-bromo-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 54920126
1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43562163
2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine
CID 83050394
3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
CID 66438971
1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43494981
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 43496064
1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43562095
1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82315282
1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 105052111
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 43674264

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine (CID 43496056) is 1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine is CCCNC(c1ccc(OC)cc1OC)C(C)CCC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine?
The InChIKey is NUMBUFWBLZBWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-8-13(3)17(18-11-7-2)15-10-9-14(19-4)12-16(15)20-5/h9-10,12-13,17-18H,6-8,11H2,1-5H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine?
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 43496056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).