5-(3,4-diethylphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine

C19H33NO — CID 115483366

IUPAC5-(3,4-diethylphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine
SMILESCCc1ccc(CCC(C)CCNCCOC)cc1CC
InChIInChI=1S/C19H33NO/c1-5-18-10-9-17(15-19(18)6-2)8-7-16(3)11-12-20-13-14-21-4/h9-10,15-16,20H,5-8,11-14H2,1-4H3
InChIKeyQWVRUUTXQFODHV-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.01
Rot. Bonds11

About 5-(3,4-diethylphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine

5-(3,4-diethylphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine (PubChem CID 115483366) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 5-(3,4-diethylphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name5-(3,4-diethylphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine
PubChem CID115483366
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name5-(3,4-diethylphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine
SMILESCCc1ccc(CCC(C)CCNCCOC)cc1CC
InChIInChI=1S/C19H33NO/c1-5-18-10-9-17(15-19(18)6-2)8-7-16(3)11-12-20-13-14-21-4/h9-10,15-16,20H,5-8,11-14H2,1-4H3
InChIKeyQWVRUUTXQFODHV-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.01
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

5-(3,4-diethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 115483386
N-[2-[2-(3,4-diethylphenyl)ethoxy]ethyl]-2-methoxyethanamine
CID 115483390
5-(3,4-diethylphenyl)-N,3-dimethylpentan-1-amine
CID 113319296
5-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine
CID 65303796
N-(2-methoxyethyl)-3-methyl-5-naphthalen-1-ylpentan-1-amine
CID 65304143
2-(2-ethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 64868119
2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine
CID 113319292
4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64666080
4-(3,4-diethylphenyl)-N-propylbutan-1-amine
CID 115483369
3-methyl-5-(4-propan-2-yloxyphenyl)-N-propylpentan-1-amine
CID 65304249
1,2-diethyl-4-propylbenzene
CID 54363919
6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine
CID 115483370

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diethylphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine?
The IUPAC name of 5-(3,4-diethylphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine (CID 115483366) is 5-(3,4-diethylphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine.
What is the SMILES notation for 5-(3,4-diethylphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine?
The canonical SMILES for 5-(3,4-diethylphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine is CCc1ccc(CCC(C)CCNCCOC)cc1CC.
What is the InChIKey of 5-(3,4-diethylphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine?
The InChIKey is QWVRUUTXQFODHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-5-18-10-9-17(15-19(18)6-2)8-7-16(3)11-12-20-13-14-21-4/h9-10,15-16,20H,5-8,11-14H2,1-4H3.
What are the key properties of 5-(3,4-diethylphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine?
5-(3,4-diethylphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.01, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-diethylphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine is sourced from PubChem (CID 115483366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).