N-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine

C16H27NO2 — CID 79416737

IUPACN-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine
SMILESCCNCC(CCOCCOC)c1cccc(C)c1
InChIInChI=1S/C16H27NO2/c1-4-17-13-16(8-9-19-11-10-18-3)15-7-5-6-14(2)12-15/h5-7,12,16-17H,4,8-11,13H2,1-3H3
InChIKeyFRACVTIHVJHHIL-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.74
Rot. Bonds10

About N-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine

N-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine (PubChem CID 79416737) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine
PubChem CID79416737
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine
SMILESCCNCC(CCOCCOC)c1cccc(C)c1
InChIInChI=1S/C16H27NO2/c1-4-17-13-16(8-9-19-11-10-18-3)15-7-5-6-14(2)12-15/h5-7,12,16-17H,4,8-11,13H2,1-3H3
InChIKeyFRACVTIHVJHHIL-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
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-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine
CID 103412573
N-ethyl-4-(2-methoxyethoxy)-2-phenylbutan-1-amine
CID 65430591
4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine
CID 103183665
N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]-2-(3-methylphenyl)ethanamine
CID 104565741
N-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine
CID 79417115
N-methyl-4-(3-methylbutoxy)-2-(3-methylphenyl)butan-1-amine
CID 79416931
5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine
CID 79417297
2-(3-chlorophenyl)-4-(2-methoxyethoxy)-N-propylbutan-1-amine
CID 79443023
6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine
CID 104649439
1-[1-bromo-5-(2-methoxyethoxy)pentan-2-yl]-3-methylbenzene
CID 103415429
4-(2-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine
CID 79436715
2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine
CID 79442906

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine?
The IUPAC name of N-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine (CID 79416737) is N-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine is CCNCC(CCOCCOC)c1cccc(C)c1.
What is the InChIKey of N-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine?
The InChIKey is FRACVTIHVJHHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-17-13-16(8-9-19-11-10-18-3)15-7-5-6-14(2)12-15/h5-7,12,16-17H,4,8-11,13H2,1-3H3.
What are the key properties of N-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine?
N-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.74, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine is sourced from PubChem (CID 79416737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).