1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine

C16H27NO2 — CID 43495216

IUPAC1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(OC)ccc1OC)C(C)(C)C
InChIInChI=1S/C16H27NO2/c1-7-10-17-15(16(2,3)4)13-11-12(18-5)8-9-14(13)19-6/h8-9,11,15,17H,7,10H2,1-6H3
InChIKeyMVPMJMZXYQOSGJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.79
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine

1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine (PubChem CID 43495216) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
PubChem CID43495216
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(OC)ccc1OC)C(C)(C)C
InChIInChI=1S/C16H27NO2/c1-7-10-17-15(16(2,3)4)13-11-12(18-5)8-9-14(13)19-6/h8-9,11,15,17H,7,10H2,1-6H3
InChIKeyMVPMJMZXYQOSGJ-UHFFFAOYSA-N
XLogP3.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679747
2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine
CID 79308493
1-(2,4-dimethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758376
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116758051
1-(2,5-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62801169
1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028317
3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine
CID 104995107
1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679941
N-[1-(2,5-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine
CID 62785327
1-(5-chloro-2-methoxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
CID 79053738
1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63503187
N-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine
CID 43495206

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine (CID 43495216) is 1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine is CCCNC(c1cc(OC)ccc1OC)C(C)(C)C.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine?
The InChIKey is MVPMJMZXYQOSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-7-10-17-15(16(2,3)4)13-11-12(18-5)8-9-14(13)19-6/h8-9,11,15,17H,7,10H2,1-6H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine?
1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine is sourced from PubChem (CID 43495216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).