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

C17H29NO2 — CID 116758375

IUPAC3-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cccc(OC)c1)C(C)(CC)OC
InChIInChI=1S/C17H29NO2/c1-6-11-18-16(17(3,7-2)20-5)13-14-9-8-10-15(12-14)19-4/h8-10,12,16,18H,6-7,11,13H2,1-5H3
InChIKeyDLTNXTZDLXDHHT-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.42
Rot. Bonds9

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

3-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylpentan-2-amine (PubChem CID 116758375) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylpentan-2-amine
PubChem CID116758375
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cccc(OC)c1)C(C)(CC)OC
InChIInChI=1S/C17H29NO2/c1-6-11-18-16(17(3,7-2)20-5)13-14-9-8-10-15(12-14)19-4/h8-10,12,16,18H,6-7,11,13H2,1-5H3
InChIKeyDLTNXTZDLXDHHT-UHFFFAOYSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
CID 116759415
1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105133867
1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693031
3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116758206
3-methoxy-3-methyl-1-(3-methylphenyl)-N-propylbutan-2-amine
CID 79197006
1-(2,5-dimethylphenyl)-3-methoxy-3-methyl-N-propylpentan-2-amine
CID 116758355
1-(5-bromo-3-pyridinyl)-3-methoxy-3-methyl-N-propylpentan-2-amine
CID 116758395
N-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
CID 66475186
N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62601372
N-[1-(1-methoxycyclobutyl)-2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 116714829
1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine
CID 83162309
N-[2-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 61065038

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylpentan-2-amine?
The IUPAC name of 3-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylpentan-2-amine (CID 116758375) is 3-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 3-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylpentan-2-amine?
The canonical SMILES for 3-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylpentan-2-amine is CCCNC(Cc1cccc(OC)c1)C(C)(CC)OC.
What is the InChIKey of 3-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylpentan-2-amine?
The InChIKey is DLTNXTZDLXDHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-11-18-16(17(3,7-2)20-5)13-14-9-8-10-15(12-14)19-4/h8-10,12,16,18H,6-7,11,13H2,1-5H3.
What are the key properties of 3-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylpentan-2-amine?
3-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylpentan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 116758375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).