1-(3,4-dimethoxyphenyl)-N-propan-2-ylpentan-1-amine

C16H27NO2 — CID 79411882

IUPAC1-(3,4-dimethoxyphenyl)-N-propan-2-ylpentan-1-amine
SMILESCCCCC(NC(C)C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H27NO2/c1-6-7-8-14(17-12(2)3)13-9-10-15(18-4)16(11-13)19-5/h9-12,14,17H,6-8H2,1-5H3
InChIKeyKZHZZGDQZIMOTE-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.93
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-N-propan-2-ylpentan-1-amine

1-(3,4-dimethoxyphenyl)-N-propan-2-ylpentan-1-amine (PubChem CID 79411882) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-propan-2-ylpentan-1-amine
PubChem CID79411882
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(3,4-dimethoxyphenyl)-N-propan-2-ylpentan-1-amine
SMILESCCCCC(NC(C)C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H27NO2/c1-6-7-8-14(17-12(2)3)13-9-10-15(18-4)16(11-13)19-5/h9-12,14,17H,6-8H2,1-5H3
InChIKeyKZHZZGDQZIMOTE-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine
CID 63414063
1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine
CID 43481153
[1-(3,4-dimethoxyphenyl)-3-ethylheptyl]hydrazine
CID 105192141
1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599
1-(3-methylphenyl)-N-propan-2-ylpentan-1-amine
CID 79412449
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine
CID 79697774
1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949261
1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine
CID 43488519
1-(4-fluoro-3-methoxyphenyl)pentylhydrazine
CID 105293751
1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 105141191

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-propan-2-ylpentan-1-amine (CID 79411882) is 1-(3,4-dimethoxyphenyl)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-propan-2-ylpentan-1-amine is CCCCC(NC(C)C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-propan-2-ylpentan-1-amine?
The InChIKey is KZHZZGDQZIMOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-7-8-14(17-12(2)3)13-9-10-15(18-4)16(11-13)19-5/h9-12,14,17H,6-8H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-propan-2-ylpentan-1-amine?
1-(3,4-dimethoxyphenyl)-N-propan-2-ylpentan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 79411882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).