N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine

C15H25NO — CID 60744416

IUPACN-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine
SMILESCOc1ccc(C)cc1CNCCCC(C)C
InChIInChI=1S/C15H25NO/c1-12(2)6-5-9-16-11-14-10-13(3)7-8-15(14)17-4/h7-8,10,12,16H,5-6,9,11H2,1-4H3
InChIKeyUCZIDTSJPMEPLK-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.53
Rot. Bonds7

About N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine

N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine (PubChem CID 60744416) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine
PubChem CID60744416
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine
SMILESCOc1ccc(C)cc1CNCCCC(C)C
InChIInChI=1S/C15H25NO/c1-12(2)6-5-9-16-11-14-10-13(3)7-8-15(14)17-4/h7-8,10,12,16H,5-6,9,11H2,1-4H3
InChIKeyUCZIDTSJPMEPLK-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 43406573
N'-[(2-methoxy-5-methylphenyl)methyl]butane-1,4-diamine
CID 60894902
N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588261
N-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43406710
4-[(2-methoxy-5-methylphenyl)methylamino]butanoic acid
CID 43473831
3-(2-chloroethoxy)-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 114171234
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylsulfanylethanamine
CID 60663713
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206959
N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 46823346
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylsulfinylethanamine
CID 115632611
5-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]hexan-1-amine
CID 79003454
2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945252

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine (CID 60744416) is N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine is COc1ccc(C)cc1CNCCCC(C)C.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine?
The InChIKey is UCZIDTSJPMEPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)6-5-9-16-11-14-10-13(3)7-8-15(14)17-4/h7-8,10,12,16H,5-6,9,11H2,1-4H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine?
N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine is sourced from PubChem (CID 60744416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).