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

C15H25NO — CID 115581213

IUPACN-[(4-methoxy-3-methylphenyl)methyl]-3,3-dimethylbutan-1-amine
SMILESCOc1ccc(CNCCC(C)(C)C)cc1C
InChIInChI=1S/C15H25NO/c1-12-10-13(6-7-14(12)17-5)11-16-9-8-15(2,3)4/h6-7,10,16H,8-9,11H2,1-5H3
InChIKeyDMYZPTPNZFGYED-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.53
Rot. Bonds5

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

N-[(4-methoxy-3-methylphenyl)methyl]-3,3-dimethylbutan-1-amine (PubChem CID 115581213) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]-3,3-dimethylbutan-1-amine
PubChem CID115581213
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]-3,3-dimethylbutan-1-amine
SMILESCOc1ccc(CNCCC(C)(C)C)cc1C
InChIInChI=1S/C15H25NO/c1-12-10-13(6-7-14(12)17-5)11-16-9-8-15(2,3)4/h6-7,10,16H,8-9,11H2,1-5H3
InChIKeyDMYZPTPNZFGYED-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(4-methoxy-3-methylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200571
N-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]methanesulfonamide
CID 43771862
3-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83117123
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylpentan-2-amine
CID 115621623
1-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200606
N-[(4-methoxy-3-methylphenyl)methyl]-3-propoxypropan-1-amine
CID 82942119
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60689759
(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033
N-[(4-methoxy-3-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615017
(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084850
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine
CID 62691785
1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 115207484

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-3,3-dimethylbutan-1-amine (CID 115581213) is N-[(4-methoxy-3-methylphenyl)methyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]-3,3-dimethylbutan-1-amine is COc1ccc(CNCCC(C)(C)C)cc1C.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]-3,3-dimethylbutan-1-amine?
The InChIKey is DMYZPTPNZFGYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12-10-13(6-7-14(12)17-5)11-16-9-8-15(2,3)4/h6-7,10,16H,8-9,11H2,1-5H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]-3,3-dimethylbutan-1-amine?
N-[(4-methoxy-3-methylphenyl)methyl]-3,3-dimethylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.53, 5 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]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 115581213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).