1-(2,4-dimethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine

C17H29NO3 — CID 116758376

IUPAC1-(2,4-dimethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(OC)cc1OC)C(C)(CC)OC
InChIInChI=1S/C17H29NO3/c1-7-11-18-16(17(3,8-2)21-6)14-10-9-13(19-4)12-15(14)20-5/h9-10,12,16,18H,7-8,11H2,1-6H3
InChIKeySBQQSQOQHCLKPY-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.56
Rot. Bonds9

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

1-(2,4-dimethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine (PubChem CID 116758376) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
PubChem CID116758376
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(2,4-dimethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(OC)cc1OC)C(C)(CC)OC
InChIInChI=1S/C17H29NO3/c1-7-11-18-16(17(3,8-2)21-6)14-10-9-13(19-4)12-15(14)20-5/h9-10,12,16,18H,7-8,11H2,1-6H3
InChIKeySBQQSQOQHCLKPY-UHFFFAOYSA-N
XLogP3.56
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679747
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116758051
N-ethyl-2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 116758102
1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43495216
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
CID 66438971
1-(4-ethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758183
1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63503187
2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine
CID 116758324
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 43496064
[1-(2,4-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine
CID 105203197

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine (CID 116758376) is 1-(2,4-dimethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine is CCCNC(c1ccc(OC)cc1OC)C(C)(CC)OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
The InChIKey is SBQQSQOQHCLKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-7-11-18-16(17(3,8-2)21-6)14-10-9-13(19-4)12-15(14)20-5/h9-10,12,16,18H,7-8,11H2,1-6H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
1-(2,4-dimethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 116758376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).