N-(butoxymethyl)-1-(2,3,4-trimethylphenyl)methanamine

C15H25NO — CID 67714257

IUPACN-(butoxymethyl)-1-(2,3,4-trimethylphenyl)methanamine
SMILESCCCCOCNCc1ccc(C)c(C)c1C
InChIInChI=1S/C15H25NO/c1-5-6-9-17-11-16-10-15-8-7-12(2)13(3)14(15)4/h7-8,16H,5-6,9-11H2,1-4H3
InChIKeyWXHMPQXVOFCZMT-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.48
Rot. Bonds7

About N-(butoxymethyl)-1-(2,3,4-trimethylphenyl)methanamine

N-(butoxymethyl)-1-(2,3,4-trimethylphenyl)methanamine (PubChem CID 67714257) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(butoxymethyl)-1-(2,3,4-trimethylphenyl)methanamine.

Molecular Properties

Compound NameN-(butoxymethyl)-1-(2,3,4-trimethylphenyl)methanamine
PubChem CID67714257
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(butoxymethyl)-1-(2,3,4-trimethylphenyl)methanamine
SMILESCCCCOCNCc1ccc(C)c(C)c1C
InChIInChI=1S/C15H25NO/c1-5-6-9-17-11-16-10-15-8-7-12(2)13(3)14(15)4/h7-8,16H,5-6,9-11H2,1-4H3
InChIKeyWXHMPQXVOFCZMT-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2,3,4-trimethylphenyl)methylamino]methanethiol
CID 115228002
N'-[(2,3,4-trimethylphenyl)methyl]methanediamine
CID 115225803
5-[(2,3,4-trimethylphenyl)methylamino]pentan-2-one
CID 115236544
N-[(2-methoxy-3,4-dimethylphenyl)methyl]butan-1-amine
CID 97179136
2-butoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]ethanamine
CID 62597704
N-[(2,3-dimethylphenyl)methyl]-2-ethoxyethanamine
CID 60956458
2-butoxy-N-[(2-chloro-4-fluorophenyl)methyl]ethanamine
CID 61170307
2-[(3-butoxypropylamino)methyl]aniline
CID 83958629
methyl 2-[2-[(2-butoxyethylamino)methyl]phenyl]acetate
CID 115461715
2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876306
N-[(2,4-dibutoxyphenyl)methyl]hexan-1-amine
CID 54805232
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2,3,4-trimethylphenyl)methanamine
CID 115249465

Frequently Asked Questions

What is the IUPAC name of N-(butoxymethyl)-1-(2,3,4-trimethylphenyl)methanamine?
The IUPAC name of N-(butoxymethyl)-1-(2,3,4-trimethylphenyl)methanamine (CID 67714257) is N-(butoxymethyl)-1-(2,3,4-trimethylphenyl)methanamine.
What is the SMILES notation for N-(butoxymethyl)-1-(2,3,4-trimethylphenyl)methanamine?
The canonical SMILES for N-(butoxymethyl)-1-(2,3,4-trimethylphenyl)methanamine is CCCCOCNCc1ccc(C)c(C)c1C.
What is the InChIKey of N-(butoxymethyl)-1-(2,3,4-trimethylphenyl)methanamine?
The InChIKey is WXHMPQXVOFCZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-6-9-17-11-16-10-15-8-7-12(2)13(3)14(15)4/h7-8,16H,5-6,9-11H2,1-4H3.
What are the key properties of N-(butoxymethyl)-1-(2,3,4-trimethylphenyl)methanamine?
N-(butoxymethyl)-1-(2,3,4-trimethylphenyl)methanamine has a molecular weight of 235.37 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butoxymethyl)-1-(2,3,4-trimethylphenyl)methanamine is sourced from PubChem (CID 67714257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).