1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine

C17H29NO2 — CID 105133867

IUPAC1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
SMILESCCCNC(COC(C)(C)C)Cc1cccc(OC)c1
InChIInChI=1S/C17H29NO2/c1-6-10-18-15(13-20-17(2,3)4)11-14-8-7-9-16(12-14)19-5/h7-9,12,15,18H,6,10-11,13H2,1-5H3
InChIKeyMGUVTJLEVWOSRT-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.42
Rot. Bonds8

About 1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine

1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine (PubChem CID 105133867) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
PubChem CID105133867
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
SMILESCCCNC(COC(C)(C)C)Cc1cccc(OC)c1
InChIInChI=1S/C17H29NO2/c1-6-10-18-15(13-20-17(2,3)4)11-14-8-7-9-16(12-14)19-5/h7-9,12,15,18H,6,10-11,13H2,1-5H3
InChIKeyMGUVTJLEVWOSRT-UHFFFAOYSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Analyze 1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693031
1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine
CID 83162309
1-(3,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105176044
1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine
CID 66038028
1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105133732
1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105133671
3-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylpentan-2-amine
CID 116758375
1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824474
N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62601372
1-(6-methoxynaphthalen-2-yl)-N-propylpentan-2-amine
CID 22007044
1-(3-methoxyphenyl)-N-methylbutan-2-amine
CID 61065553
N-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
CID 66475186

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine?
The IUPAC name of 1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine (CID 105133867) is 1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine is CCCNC(COC(C)(C)C)Cc1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine?
The InChIKey is MGUVTJLEVWOSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-10-18-15(13-20-17(2,3)4)11-14-8-7-9-16(12-14)19-5/h7-9,12,15,18H,6,10-11,13H2,1-5H3.
What are the key properties of 1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine?
1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine is sourced from PubChem (CID 105133867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).