N-methyl-1-[2-(2-pentan-2-yloxyethoxy)phenyl]methanamine

C15H25NO2 — CID 102986888

IUPACN-methyl-1-[2-(2-pentan-2-yloxyethoxy)phenyl]methanamine
SMILESCCCC(C)OCCOc1ccccc1CNC
InChIInChI=1S/C15H25NO2/c1-4-7-13(2)17-10-11-18-15-9-6-5-8-14(15)12-16-3/h5-6,8-9,13,16H,4,7,10-12H2,1-3H3
InChIKeyNQGRIAPWGHCHHP-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.99
Rot. Bonds9

About N-methyl-1-[2-(2-pentan-2-yloxyethoxy)phenyl]methanamine

N-methyl-1-[2-(2-pentan-2-yloxyethoxy)phenyl]methanamine (PubChem CID 102986888) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-methyl-1-[2-(2-pentan-2-yloxyethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-pentan-2-yloxyethoxy)phenyl]methanamine
PubChem CID102986888
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-methyl-1-[2-(2-pentan-2-yloxyethoxy)phenyl]methanamine
SMILESCCCC(C)OCCOc1ccccc1CNC
InChIInChI=1S/C15H25NO2/c1-4-7-13(2)17-10-11-18-15-9-6-5-8-14(15)12-16-3/h5-6,8-9,13,16H,4,7,10-12H2,1-3H3
InChIKeyNQGRIAPWGHCHHP-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62450311
[2-(2-butan-2-yloxyethoxy)phenyl]methanamine
CID 60903164
N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 18525858
N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 113223004
1-decyl-2-(6-octoxyheptoxy)benzene
CID 57153605
N-[[2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]phenyl]methyl]ethanamine
CID 66274881
N-[(2-ethoxyphenyl)methyl]pentan-2-amine
CID 43177718
1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine
CID 62443049
N-[[2-[2-(2-propan-2-yloxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455414
[2-[2-(4-methylpentan-2-yloxy)ethoxy]phenyl]methanamine
CID 43254260
N-methyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]pentan-2-amine
CID 62433074
1-[2-[2-(3,4-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62485918

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-pentan-2-yloxyethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-(2-pentan-2-yloxyethoxy)phenyl]methanamine (CID 102986888) is N-methyl-1-[2-(2-pentan-2-yloxyethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2-pentan-2-yloxyethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2-pentan-2-yloxyethoxy)phenyl]methanamine is CCCC(C)OCCOc1ccccc1CNC.
What is the InChIKey of N-methyl-1-[2-(2-pentan-2-yloxyethoxy)phenyl]methanamine?
The InChIKey is NQGRIAPWGHCHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-7-13(2)17-10-11-18-15-9-6-5-8-14(15)12-16-3/h5-6,8-9,13,16H,4,7,10-12H2,1-3H3.
What are the key properties of N-methyl-1-[2-(2-pentan-2-yloxyethoxy)phenyl]methanamine?
N-methyl-1-[2-(2-pentan-2-yloxyethoxy)phenyl]methanamine has a molecular weight of 251.37 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-pentan-2-yloxyethoxy)phenyl]methanamine is sourced from PubChem (CID 102986888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).