N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine

C15H25NO — CID 65300901

IUPACN-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine
SMILESCOCCNCCCCCc1ccc(C)cc1
InChIInChI=1S/C15H25NO/c1-14-7-9-15(10-8-14)6-4-3-5-11-16-12-13-17-2/h7-10,16H,3-6,11-13H2,1-2H3
InChIKeyQBWMESSHZOGNLZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.94
Rot. Bonds9

About N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine

N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine (PubChem CID 65300901) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine
PubChem CID65300901
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine
SMILESCOCCNCCCCCc1ccc(C)cc1
InChIInChI=1S/C15H25NO/c1-14-7-9-15(10-8-14)6-4-3-5-11-16-12-13-17-2/h7-10,16H,3-6,11-13H2,1-2H3
InChIKeyQBWMESSHZOGNLZ-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine
CID 65305186
N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine
CID 18790228
5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65305831
N-(2-methoxyethyl)-3-pyridin-4-ylpropan-1-amine
CID 62549187
5-(4-methylphenyl)-N-prop-2-ynylpentan-1-amine
CID 123635009
3-(4-ethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 64503762
N-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine
CID 114333296
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)pentan-1-amine
CID 65300712
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene
CID 141394605
N-(2-methoxyethyl)-4-(4-methylphenyl)butan-2-amine
CID 115705553
N-(2-methoxyethyl)-5-(3-methylthiophen-2-yl)pentan-1-amine
CID 65305199

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine (CID 65300901) is N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine is COCCNCCCCCc1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine?
The InChIKey is QBWMESSHZOGNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-14-7-9-15(10-8-14)6-4-3-5-11-16-12-13-17-2/h7-10,16H,3-6,11-13H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine?
N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine is sourced from PubChem (CID 65300901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).