N-[(4-methoxy-3-methylphenyl)methyl]-2-methylpentan-2-amine

C15H25NO — CID 115621623

IUPACN-[(4-methoxy-3-methylphenyl)methyl]-2-methylpentan-2-amine
SMILESCCCC(C)(C)NCc1ccc(OC)c(C)c1
InChIInChI=1S/C15H25NO/c1-6-9-15(3,4)16-11-13-7-8-14(17-5)12(2)10-13/h7-8,10,16H,6,9,11H2,1-5H3
InChIKeyUCYXFXDOTTVHHL-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.67
Rot. Bonds6

About N-[(4-methoxy-3-methylphenyl)methyl]-2-methylpentan-2-amine

N-[(4-methoxy-3-methylphenyl)methyl]-2-methylpentan-2-amine (PubChem CID 115621623) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]-2-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]-2-methylpentan-2-amine
PubChem CID115621623
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]-2-methylpentan-2-amine
SMILESCCCC(C)(C)NCc1ccc(OC)c(C)c1
InChIInChI=1S/C15H25NO/c1-6-9-15(3,4)16-11-13-7-8-14(17-5)12(2)10-13/h7-8,10,16H,6,9,11H2,1-5H3
InChIKeyUCYXFXDOTTVHHL-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine
CID 113234422
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine
CID 115621687
N-[(4-methoxy-3-methylphenyl)methyl]-3,3-dimethylbutan-1-amine
CID 115581213
3-[(4-methoxy-3-methylphenyl)methylamino]-2,2,3-trimethylbutanoic acid
CID 167848707
(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033
1-N-[(4-methoxy-3-methylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200571
3-[(3-bromo-4-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 111469026
3-N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115134689
1-(4-methoxy-3-methylphenyl)propane-2,2-diamine
CID 166666114
(2R)-2-(4-methoxy-3-methylphenyl)pentan-2-ol
CID 97294322
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpentan-2-amine
CID 115629541
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132665

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-2-methylpentan-2-amine?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-2-methylpentan-2-amine (CID 115621623) is N-[(4-methoxy-3-methylphenyl)methyl]-2-methylpentan-2-amine.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]-2-methylpentan-2-amine?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]-2-methylpentan-2-amine is CCCC(C)(C)NCc1ccc(OC)c(C)c1.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]-2-methylpentan-2-amine?
The InChIKey is UCYXFXDOTTVHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-9-15(3,4)16-11-13-7-8-14(17-5)12(2)10-13/h7-8,10,16H,6,9,11H2,1-5H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]-2-methylpentan-2-amine?
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylpentan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)methyl]-2-methylpentan-2-amine is sourced from PubChem (CID 115621623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).