5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine

C15H25NO2 — CID 65304508

IUPAC5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
SMILESCNCCC(C)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H25NO2/c1-12(9-10-16-2)5-6-13-7-8-14(17-3)15(11-13)18-4/h7-8,11-12,16H,5-6,9-10H2,1-4H3
InChIKeyJYUKVOXEIUHFOS-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.88
Rot. Bonds8

About 5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine

5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine (PubChem CID 65304508) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
PubChem CID65304508
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
SMILESCNCCC(C)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H25NO2/c1-12(9-10-16-2)5-6-13-7-8-14(17-3)15(11-13)18-4/h7-8,11-12,16H,5-6,9-10H2,1-4H3
InChIKeyJYUKVOXEIUHFOS-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65303977
5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 65304908
5-(2-methoxy-5-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65303647
5-(3,4-diethylphenyl)-N,3-dimethylpentan-1-amine
CID 113319296
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine
CID 19926627
1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503243
2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine
CID 64867479
6-(3,4-dimethoxyphenyl)-4-N-methylhexane-1,4-diamine
CID 139762530
5-(3-bromo-4-methoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine
CID 65304156
5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine
CID 65304680
4-(3,4-dimethoxyphenyl)-1-methoxybutan-2-ol
CID 79422604
[2-methoxy-4-[2-(methylamino)ethyl]phenyl] 2-methylpropanoate
CID 166668428

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine (CID 65304508) is 5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine is CNCCC(C)CCc1ccc(OC)c(OC)c1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine?
The InChIKey is JYUKVOXEIUHFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(9-10-16-2)5-6-13-7-8-14(17-3)15(11-13)18-4/h7-8,11-12,16H,5-6,9-10H2,1-4H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine?
5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 65304508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).