3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine

C15H25NO — CID 62529285

IUPAC3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCOc1ccc(C)cc1CC(C)CNC(C)C
InChIInChI=1S/C15H25NO/c1-11(2)16-10-13(4)9-14-8-12(3)6-7-15(14)17-5/h6-8,11,13,16H,9-10H2,1-5H3
InChIKeyJEJUSOWUTCYVMB-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.18
Rot. Bonds6

About 3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine

3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 62529285) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID62529285
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCOc1ccc(C)cc1CC(C)CNC(C)C
InChIInChI=1S/C15H25NO/c1-11(2)16-10-13(4)9-14-8-12(3)6-7-15(14)17-5/h6-8,11,13,16H,9-10H2,1-5H3
InChIKeyJEJUSOWUTCYVMB-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015516
3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62530686
butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene
CID 144898289
1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
CID 171593330
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527
2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene
CID 63470462
1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 55042038
3-(2-methoxy-5-methylphenyl)-2-methylpropanal
CID 64666639
3-(3-bromo-4-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62530687
4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 65306595
1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine
CID 79412348
2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933019

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine (CID 62529285) is 3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine is COc1ccc(C)cc1CC(C)CNC(C)C.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is JEJUSOWUTCYVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)16-10-13(4)9-14-8-12(3)6-7-15(14)17-5/h6-8,11,13,16H,9-10H2,1-5H3.
What are the key properties of 3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine?
3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62529285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).