N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine

C16H27NO2 — CID 63323068

IUPACN-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine
SMILESCCCCOCCOc1ccc(C)cc1CNCC
InChIInChI=1S/C16H27NO2/c1-4-6-9-18-10-11-19-16-8-7-14(3)12-15(16)13-17-5-2/h7-8,12,17H,4-6,9-11,13H2,1-3H3
InChIKeyIJSDODIWZYXNSN-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.30
Rot. Bonds10

About N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine

N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine (PubChem CID 63323068) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine
PubChem CID63323068
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine
SMILESCCCCOCCOc1ccc(C)cc1CNCC
InChIInChI=1S/C16H27NO2/c1-4-6-9-18-10-11-19-16-8-7-14(3)12-15(16)13-17-5-2/h7-8,12,17H,4-6,9-11,13H2,1-3H3
InChIKeyIJSDODIWZYXNSN-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine 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

N-[[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methyl]propan-1-amine
CID 103177793
5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol
CID 55204167
N-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine
CID 63323300
N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine
CID 97179196
N-[[5-methyl-2-(4,4,4-trifluorobutoxy)phenyl]methyl]ethanamine
CID 115513238
N-[[5-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine
CID 103177499
4-[2-(ethylaminomethyl)-4-methylphenoxy]-2-methylbutan-2-ol
CID 79360568
1-butoxy-2-ethyl-4-methylbenzene
CID 20826275
N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine
CID 63323494
N-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine
CID 63485344
2-(2-butoxy-5-methylphenyl)acetic acid
CID 82051975
6-[2-(ethylaminomethyl)-4-methylphenoxy]-2,2-dimethylhexanenitrile
CID 106708824

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine (CID 63323068) is N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine is CCCCOCCOc1ccc(C)cc1CNCC.
What is the InChIKey of N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine?
The InChIKey is IJSDODIWZYXNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-6-9-18-10-11-19-16-8-7-14(3)12-15(16)13-17-5-2/h7-8,12,17H,4-6,9-11,13H2,1-3H3.
What are the key properties of N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine?
N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.30, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 63323068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).