(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine

C15H25NO — CID 59084850

IUPAC(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
SMILESCOc1ccc(CNC[C@@H](C)C(C)C)cc1C
InChIInChI=1S/C15H25NO/c1-11(2)13(4)9-16-10-14-6-7-15(17-5)12(3)8-14/h6-8,11,13,16H,9-10H2,1-5H3/t13-/m1/s1
InChIKeyFEUIBZVCRZUXQI-CYBMUJFWSA-N
MW235.37 g/mol
LogP3.39
Rot. Bonds6

About (2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine

(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine (PubChem CID 59084850) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
PubChem CID59084850
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
SMILESCOc1ccc(CNC[C@@H](C)C(C)C)cc1C
InChIInChI=1S/C15H25NO/c1-11(2)13(4)9-16-10-14-6-7-15(17-5)12(3)8-14/h6-8,11,13,16H,9-10H2,1-5H3/t13-/m1/s1
InChIKeyFEUIBZVCRZUXQI-CYBMUJFWSA-N
XLogP3.39
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 ≤ 53.39
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

(2S)-N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084994
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine
CID 62691785
3-[(4-methoxy-3-methylphenyl)methylamino]-2-methylpropanenitrile
CID 62646735
4-[(4-methoxy-3-methylphenyl)methylamino]-3-methylbutanoic acid
CID 115219897
3-ethyl-1-N-[(4-methoxy-3-methylphenyl)methyl]-2-N,2-N-dimethylpentane-1,2-diamine
CID 43434722
methyl 2-[[(4-methoxy-3-methylphenyl)methylamino]methyl]butanoate
CID 115253119
N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 60961619
(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033
2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945293
4-[(2,3-dimethylbutylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789774
N-[(4-methoxy-3-methylphenyl)methyl]-3,3-dimethylbutan-1-amine
CID 115581213
2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol
CID 43776404

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine?
The IUPAC name of (2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine (CID 59084850) is (2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine.
What is the SMILES notation for (2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine?
The canonical SMILES for (2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine is COc1ccc(CNC[C@@H](C)C(C)C)cc1C.
What is the InChIKey of (2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine?
The InChIKey is FEUIBZVCRZUXQI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)13(4)9-16-10-14-6-7-15(17-5)12(3)8-14/h6-8,11,13,16H,9-10H2,1-5H3/t13-/m1/s1.
What are the key properties of (2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine?
(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 59084850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).