2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine

C16H27NO2 — CID 116719309

IUPAC2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(OC)cc1)C(CCC)OC
InChIInChI=1S/C16H27NO2/c1-5-7-15(19-4)16(17-12-6-2)13-8-10-14(18-3)11-9-13/h8-11,15-17H,5-7,12H2,1-4H3
InChIKeyLMUYRLUNDMXPQR-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.55
Rot. Bonds9

About 2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine

2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine (PubChem CID 116719309) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine
PubChem CID116719309
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(OC)cc1)C(CCC)OC
InChIInChI=1S/C16H27NO2/c1-5-7-15(19-4)16(17-12-6-2)13-8-10-14(18-3)11-9-13/h8-11,15-17H,5-7,12H2,1-4H3
InChIKeyLMUYRLUNDMXPQR-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 116719339
1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43494981
2-methoxy-1-(4-methoxy-2-methylphenyl)-N-propylpentan-1-amine
CID 116719567
1-(3,4-difluorophenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719516
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719391
2-ethylsulfonyl-1-(4-methoxyphenyl)-N-propylpropan-1-amine
CID 64647568
1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719527
1-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)-N-propylpropan-1-amine
CID 107763220
N-ethyl-1-(4-methoxyphenyl)-2-propylpentan-1-amine
CID 82985129
1-(4-tert-butylphenyl)-2-methoxy-N-propylbutan-1-amine
CID 116715912
2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine
CID 116718350
1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719557

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine?
The IUPAC name of 2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine (CID 116719309) is 2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine?
The canonical SMILES for 2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine is CCCNC(c1ccc(OC)cc1)C(CCC)OC.
What is the InChIKey of 2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine?
The InChIKey is LMUYRLUNDMXPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-7-15(19-4)16(17-12-6-2)13-8-10-14(18-3)11-9-13/h8-11,15-17H,5-7,12H2,1-4H3.
What are the key properties of 2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine?
2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 116719309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).