2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine

C17H29NO2 — CID 83050394

IUPAC2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)C(C)c1ccc(OC)cc1OC
InChIInChI=1S/C17H29NO2/c1-6-8-16(18-11-7-2)13(3)15-10-9-14(19-4)12-17(15)20-5/h9-10,12-13,16,18H,6-8,11H2,1-5H3
InChIKeyZQKMQPKCFYPRMJ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.98
Rot. Bonds9

About 2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine

2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine (PubChem CID 83050394) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine
PubChem CID83050394
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)C(C)c1ccc(OC)cc1OC
InChIInChI=1S/C17H29NO2/c1-6-8-16(18-11-7-2)13(3)15-10-9-14(19-4)12-17(15)20-5/h9-10,12-13,16,18H,6-8,11H2,1-5H3
InChIKeyZQKMQPKCFYPRMJ-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
CID 66438971
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine
CID 79308493
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 43496064
1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82315282
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 43674264
2-(2-ethoxyphenyl)-N-propylhexan-3-amine
CID 83050810
1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679747
N-ethyl-2-(2-methoxyphenyl)hexan-3-amine
CID 83050697
N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine
CID 64644798
N-[1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine
CID 64656011

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine (CID 83050394) is 2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine is CCCNC(CCC)C(C)c1ccc(OC)cc1OC.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine?
The InChIKey is ZQKMQPKCFYPRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-8-16(18-11-7-2)13(3)15-10-9-14(19-4)12-17(15)20-5/h9-10,12-13,16,18H,6-8,11H2,1-5H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine?
2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine has a molecular weight of 279.42 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine is sourced from PubChem (CID 83050394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).