N-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine

C15H25NO2 — CID 62451901

IUPACN-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine
SMILESCCCCCOCCOc1ccc(CNC)cc1
InChIInChI=1S/C15H25NO2/c1-3-4-5-10-17-11-12-18-15-8-6-14(7-9-15)13-16-2/h6-9,16H,3-5,10-13H2,1-2H3
InChIKeyHAQCJIJYBTUHRH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.99
Rot. Bonds10

About N-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine

N-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine (PubChem CID 62451901) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine
PubChem CID62451901
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine
SMILESCCCCCOCCOc1ccc(CNC)cc1
InChIInChI=1S/C15H25NO2/c1-3-4-5-10-17-11-12-18-15-8-6-14(7-9-15)13-16-2/h6-9,16H,3-5,10-13H2,1-2H3
InChIKeyHAQCJIJYBTUHRH-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine
CID 62457147
1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903
[4-(2-hexoxyethoxy)phenyl]methanamine
CID 43254396
4-(2-pentoxyethoxy)aniline
CID 43274923
1-[2-(2-hexoxyethoxy)ethoxy]-4-methoxybenzene
CID 58828240
1-(2-butoxyethoxy)-4-(chloromethyl)benzene
CID 29003978
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346
2-pentoxyethoxybenzene
CID 54431229
4-(2-heptoxyethoxy)aniline
CID 43366149
N-[(4-octoxyphenyl)methyl]hydroxylamine
CID 22368623
[4-(3-pentoxypropoxy)phenyl]methanamine
CID 43275017
1,4-dipentoxybenzene
CID 18314717

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine (CID 62451901) is N-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine is CCCCCOCCOc1ccc(CNC)cc1.
What is the InChIKey of N-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine?
The InChIKey is HAQCJIJYBTUHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-4-5-10-17-11-12-18-15-8-6-14(7-9-15)13-16-2/h6-9,16H,3-5,10-13H2,1-2H3.
What are the key properties of N-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine?
N-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine has a molecular weight of 251.37 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-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine is sourced from PubChem (CID 62451901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).