3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylpropan-1-amine

C15H25NO — CID 95452248

IUPAC3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylpropan-1-amine
SMILESCNCCCc1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C15H25NO/c1-11(2)14-10-13(7-6-8-16-4)12(3)9-15(14)17-5/h9-11,16H,6-8H2,1-5H3
InChIKeyHBKWDANVZNSUGS-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.28
Rot. Bonds6

About 3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylpropan-1-amine

3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylpropan-1-amine (PubChem CID 95452248) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylpropan-1-amine
PubChem CID95452248
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylpropan-1-amine
SMILESCNCCCc1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C15H25NO/c1-11(2)14-10-13(7-6-8-16-4)12(3)9-15(14)17-5/h9-11,16H,6-8H2,1-5H3
InChIKeyHBKWDANVZNSUGS-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine
CID 94683968
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]ethanethiol
CID 115223937
3-(5-chloro-4-methoxy-2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 98784567
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine
CID 112513604
N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N,N'-dimethylmethanediamine
CID 115226664
N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine
CID 115225872
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide
CID 110781243
1-cyclopropyl-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]methanamine
CID 69279056
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide
CID 110781255
methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate
CID 112519692
N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98784421
N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 115197854

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylpropan-1-amine (CID 95452248) is 3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylpropan-1-amine is CNCCCc1cc(C(C)C)c(OC)cc1C.
What is the InChIKey of 3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylpropan-1-amine?
The InChIKey is HBKWDANVZNSUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)14-10-13(7-6-8-16-4)12(3)9-15(14)17-5/h9-11,16H,6-8H2,1-5H3.
What are the key properties of 3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylpropan-1-amine?
3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylpropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 95452248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).