1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine

C17H29NO2 — CID 62679747

IUPAC1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(OC)cc1OC)C(C)(C)CC
InChIInChI=1S/C17H29NO2/c1-7-11-18-16(17(3,4)8-2)14-10-9-13(19-5)12-15(14)20-6/h9-10,12,16,18H,7-8,11H2,1-6H3
InChIKeyILBZKQRPIUPKGW-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.18
Rot. Bonds8

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

1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine (PubChem CID 62679747) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
PubChem CID62679747
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(OC)cc1OC)C(C)(C)CC
InChIInChI=1S/C17H29NO2/c1-7-11-18-16(17(3,4)8-2)14-10-9-13(19-5)12-15(14)20-6/h9-10,12,16,18H,7-8,11H2,1-6H3
InChIKeyILBZKQRPIUPKGW-UHFFFAOYSA-N
XLogP4.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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-(2,4-dimethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758376
1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63503187
1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43495216
1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679941
3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
CID 66438971
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 43496064
2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine
CID 83050394
1-(5-methoxy-3-pyridinyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105026226
N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine
CID 43496062
1-(3-bromo-4-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63503843

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine (CID 62679747) is 1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine is CCCNC(c1ccc(OC)cc1OC)C(C)(C)CC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine?
The InChIKey is ILBZKQRPIUPKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-7-11-18-16(17(3,4)8-2)14-10-9-13(19-5)12-15(14)20-6/h9-10,12,16,18H,7-8,11H2,1-6H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine?
1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 62679747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).