2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine

C16H27NO2 — CID 79308493

IUPAC2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1cc(OC)ccc1OC
InChIInChI=1S/C16H27NO2/c1-6-10-17-15(7-2)12(3)14-11-13(18-4)8-9-16(14)19-5/h8-9,11-12,15,17H,6-7,10H2,1-5H3
InChIKeyCAQRRVSRVJZMSP-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.59
Rot. Bonds8

About 2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine

2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine (PubChem CID 79308493) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine
PubChem CID79308493
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1cc(OC)ccc1OC
InChIInChI=1S/C16H27NO2/c1-6-10-17-15(7-2)12(3)14-11-13(18-4)8-9-16(14)19-5/h8-9,11-12,15,17H,6-7,10H2,1-5H3
InChIKeyCAQRRVSRVJZMSP-UHFFFAOYSA-N
XLogP3.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine
CID 83050394
1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028317
1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43495216
3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
CID 66438971
1-(2,5-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62801169
2-(2,5-dimethoxyphenyl)hexan-3-amine
CID 83047231
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
N-[1-(2,5-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine
CID 62785327
1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148384
N-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine
CID 43495206
3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine
CID 104995107

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine (CID 79308493) is 2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine is CCCNC(CC)C(C)c1cc(OC)ccc1OC.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine?
The InChIKey is CAQRRVSRVJZMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-10-17-15(7-2)12(3)14-11-13(18-4)8-9-16(14)19-5/h8-9,11-12,15,17H,6-7,10H2,1-5H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine?
2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine has a molecular weight of 265.40 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine is sourced from PubChem (CID 79308493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).