N-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine

C16H27NO2 — CID 65305186

IUPACN-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine
SMILESCOCCNCCCCCc1ccc(OC)c(C)c1
InChIInChI=1S/C16H27NO2/c1-14-13-15(8-9-16(14)19-3)7-5-4-6-10-17-11-12-18-2/h8-9,13,17H,4-7,10-12H2,1-3H3
InChIKeyMPJBFAGSCYEYGG-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.95
Rot. Bonds10

About N-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine

N-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine (PubChem CID 65305186) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine
PubChem CID65305186
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine
SMILESCOCCNCCCCCc1ccc(OC)c(C)c1
InChIInChI=1S/C16H27NO2/c1-14-13-15(8-9-16(14)19-3)7-5-4-6-10-17-11-12-18-2/h8-9,13,17H,4-7,10-12H2,1-3H3
InChIKeyMPJBFAGSCYEYGG-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
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

N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 64867078
5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65305831
N-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine
CID 98014025
N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine
CID 65300901
N-tert-butyl-5-(4-methoxy-3-methylphenyl)pentan-1-amine
CID 65305391
2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline
CID 82153268
N-ethyl-2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethanamine
CID 65303073
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)pentan-1-amine
CID 65300712
5-(5-bromo-2-methoxy-4-methylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65432429
4-(3-chloropropyl)-1-methoxy-2-methylbenzene
CID 116926643
4-(4-ethyl-2-methoxyphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 107668718
5-(4-methoxy-3-methylphenyl)pentanenitrile
CID 96657164

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine (CID 65305186) is N-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine is COCCNCCCCCc1ccc(OC)c(C)c1.
What is the InChIKey of N-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine?
The InChIKey is MPJBFAGSCYEYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-14-13-15(8-9-16(14)19-3)7-5-4-6-10-17-11-12-18-2/h8-9,13,17H,4-7,10-12H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine?
N-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine is sourced from PubChem (CID 65305186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).