2-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine

C16H27NO2 — CID 116720561

IUPAC2-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cccc(OC)c1)C(OC)C(C)C
InChIInChI=1S/C16H27NO2/c1-6-10-17-15(16(19-5)12(2)3)13-8-7-9-14(11-13)18-4/h7-9,11-12,15-17H,6,10H2,1-5H3
InChIKeyPOTKUNVJROUKKF-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.41
Rot. Bonds8

About 2-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine

2-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine (PubChem CID 116720561) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
PubChem CID116720561
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cccc(OC)c1)C(OC)C(C)C
InChIInChI=1S/C16H27NO2/c1-6-10-17-15(16(19-5)12(2)3)13-8-7-9-14(11-13)18-4/h7-9,11-12,15-17H,6,10H2,1-5H3
InChIKeyPOTKUNVJROUKKF-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-(3-methoxyphenyl)-N,3-dimethylbutan-1-amine
CID 116719987
1-(3,4-dimethylphenyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720687
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 116720529
2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine
CID 116720620
N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 60799452
N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 83174801
2-methoxy-3-methyl-N-propyl-1-quinolin-3-ylbutan-1-amine
CID 116720466
N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 115785453
N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 43494797
2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine
CID 116721748
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 2-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine (CID 116720561) is 2-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 2-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine is CCCNC(c1cccc(OC)c1)C(OC)C(C)C.
What is the InChIKey of 2-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine?
The InChIKey is POTKUNVJROUKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-10-17-15(16(19-5)12(2)3)13-8-7-9-14(11-13)18-4/h7-9,11-12,15-17H,6,10H2,1-5H3.
What are the key properties of 2-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine?
2-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 116720561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).