N-[[2-(methoxymethyl)phenyl]methyl]-2-(3-methylbutoxy)ethanamine

C16H27NO2 — CID 61483710

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-2-(3-methylbutoxy)ethanamine
SMILESCOCc1ccccc1CNCCOCCC(C)C
InChIInChI=1S/C16H27NO2/c1-14(2)8-10-19-11-9-17-12-15-6-4-5-7-16(15)13-18-3/h4-7,14,17H,8-13H2,1-3H3
InChIKeyXCSKXHDHJOIUQZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.99
Rot. Bonds10

About N-[[2-(methoxymethyl)phenyl]methyl]-2-(3-methylbutoxy)ethanamine

N-[[2-(methoxymethyl)phenyl]methyl]-2-(3-methylbutoxy)ethanamine (PubChem CID 61483710) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-2-(3-methylbutoxy)ethanamine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-2-(3-methylbutoxy)ethanamine
PubChem CID61483710
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-2-(3-methylbutoxy)ethanamine
SMILESCOCc1ccccc1CNCCOCCC(C)C
InChIInChI=1S/C16H27NO2/c1-14(2)8-10-19-11-9-17-12-15-6-4-5-7-16(15)13-18-3/h4-7,14,17H,8-13H2,1-3H3
InChIKeyXCSKXHDHJOIUQZ-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-(methoxymethyl)phenyl]methyl]-2-(3-methylbutoxy)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

1-[[2-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 60924440
2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61483713
2-chloro-N-[2-(3-methylbutoxy)ethyl]-2-phenylethanamine
CID 65023767
2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83156925
N-[(2,5-dichlorophenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 65316391
N',N'-diethyl-N-[[2-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine
CID 54861568
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfonylethanamine
CID 54861557
N-[[2-(methoxymethyl)phenyl]methyl]-1-(2-methylphenyl)methanamine
CID 60744139
N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54861778
N-[(4-tert-butylphenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 63477065
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 61483916
2-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63070903

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2-(3-methylbutoxy)ethanamine?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2-(3-methylbutoxy)ethanamine (CID 61483710) is N-[[2-(methoxymethyl)phenyl]methyl]-2-(3-methylbutoxy)ethanamine.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-2-(3-methylbutoxy)ethanamine?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-2-(3-methylbutoxy)ethanamine is COCc1ccccc1CNCCOCCC(C)C.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-2-(3-methylbutoxy)ethanamine?
The InChIKey is XCSKXHDHJOIUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-14(2)8-10-19-11-9-17-12-15-6-4-5-7-16(15)13-18-3/h4-7,14,17H,8-13H2,1-3H3.
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-2-(3-methylbutoxy)ethanamine?
N-[[2-(methoxymethyl)phenyl]methyl]-2-(3-methylbutoxy)ethanamine has a molecular weight of 265.40 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-2-(3-methylbutoxy)ethanamine is sourced from PubChem (CID 61483710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).