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

C16H27NO — CID 79197006

IUPAC3-methoxy-3-methyl-1-(3-methylphenyl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1cccc(C)c1)C(C)(C)OC
InChIInChI=1S/C16H27NO/c1-6-10-17-15(16(3,4)18-5)12-14-9-7-8-13(2)11-14/h7-9,11,15,17H,6,10,12H2,1-5H3
InChIKeyFDTJGUQBYJMKCR-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.33
Rot. Bonds7

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

3-methoxy-3-methyl-1-(3-methylphenyl)-N-propylbutan-2-amine (PubChem CID 79197006) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(3-methylphenyl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(3-methylphenyl)-N-propylbutan-2-amine
PubChem CID79197006
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-methoxy-3-methyl-1-(3-methylphenyl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1cccc(C)c1)C(C)(C)OC
InChIInChI=1S/C16H27NO/c1-6-10-17-15(16(3,4)18-5)12-14-9-7-8-13(2)11-14/h7-9,11,15,17H,6,10,12H2,1-5H3
InChIKeyFDTJGUQBYJMKCR-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-methoxy-3-methyl-1-(3-methylphenyl)butan-2-yl]hydrazine
CID 105245324
3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
CID 116759415
1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198282
1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198045
N-[1-(2-methoxyphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60799288
3-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylpentan-2-amine
CID 116758375
2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine
CID 79198405
N-ethyl-3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine
CID 62679178
N-[1-(4-methoxyphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60798724
3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine
CID 54896933
1-(3-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 102857759
1-(3-fluorophenyl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 63417000

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(3-methylphenyl)-N-propylbutan-2-amine?
The IUPAC name of 3-methoxy-3-methyl-1-(3-methylphenyl)-N-propylbutan-2-amine (CID 79197006) is 3-methoxy-3-methyl-1-(3-methylphenyl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-methoxy-3-methyl-1-(3-methylphenyl)-N-propylbutan-2-amine?
The canonical SMILES for 3-methoxy-3-methyl-1-(3-methylphenyl)-N-propylbutan-2-amine is CCCNC(Cc1cccc(C)c1)C(C)(C)OC.
What is the InChIKey of 3-methoxy-3-methyl-1-(3-methylphenyl)-N-propylbutan-2-amine?
The InChIKey is FDTJGUQBYJMKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-10-17-15(16(3,4)18-5)12-14-9-7-8-13(2)11-14/h7-9,11,15,17H,6,10,12H2,1-5H3.
What are the key properties of 3-methoxy-3-methyl-1-(3-methylphenyl)-N-propylbutan-2-amine?
3-methoxy-3-methyl-1-(3-methylphenyl)-N-propylbutan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(3-methylphenyl)-N-propylbutan-2-amine is sourced from PubChem (CID 79197006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).