3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine

C16H27NO2 — CID 176899183

IUPAC3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine
SMILESCCCCCc1cc(OC)c(CCCN)cc1OC
InChIInChI=1S/C16H27NO2/c1-4-5-6-8-13-11-16(19-3)14(9-7-10-17)12-15(13)18-2/h11-12H,4-10,17H2,1-3H3
InChIKeySTEWIFZLANWDQE-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.33
Rot. Bonds9

About 3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine

3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine (PubChem CID 176899183) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine
PubChem CID176899183
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine
SMILESCCCCCc1cc(OC)c(CCCN)cc1OC
InChIInChI=1S/C16H27NO2/c1-4-5-6-8-13-11-16(19-3)14(9-7-10-17)12-15(13)18-2/h11-12H,4-10,17H2,1-3H3
InChIKeySTEWIFZLANWDQE-UHFFFAOYSA-N
XLogP3.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine
CID 171474993
1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine
CID 165123636
3-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]propan-1-amine
CID 117355471
4-(2,5-dimethoxy-4-propan-2-yloxyphenyl)butan-1-amine
CID 117422151
3-(4-ethyl-2-methoxyphenyl)propan-1-amine
CID 83878516
4-(2,5-dimethoxy-4-methylsulfonylphenyl)butan-1-amine
CID 117463945
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
2-(4-butylselanyl-2,5-dimethoxyphenyl)ethanamine
CID 171534567
3-(4-methoxy-3-propylphenyl)propan-1-amine
CID 123256997
3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine
CID 117446608
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
1-decyl-2,4-dimethoxybenzene
CID 524862

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine?
The IUPAC name of 3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine (CID 176899183) is 3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine?
The canonical SMILES for 3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine is CCCCCc1cc(OC)c(CCCN)cc1OC.
What is the InChIKey of 3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine?
The InChIKey is STEWIFZLANWDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-5-6-8-13-11-16(19-3)14(9-7-10-17)12-15(13)18-2/h11-12H,4-10,17H2,1-3H3.
What are the key properties of 3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine?
3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine is sourced from PubChem (CID 176899183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).