N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine

C17H29NO2 — CID 103412573

IUPACN-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine
SMILESCCNCC(CCCOCCOC)c1cccc(C)c1
InChIInChI=1S/C17H29NO2/c1-4-18-14-17(9-6-10-20-12-11-19-3)16-8-5-7-15(2)13-16/h5,7-8,13,17-18H,4,6,9-12,14H2,1-3H3
InChIKeyAJTQTQQCFVKJDR-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.13
Rot. Bonds11

About N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine

N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine (PubChem CID 103412573) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine
PubChem CID103412573
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine
SMILESCCNCC(CCCOCCOC)c1cccc(C)c1
InChIInChI=1S/C17H29NO2/c1-4-18-14-17(9-6-10-20-12-11-19-3)16-8-5-7-15(2)13-16/h5,7-8,13,17-18H,4,6,9-12,14H2,1-3H3
InChIKeyAJTQTQQCFVKJDR-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.13
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-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine
CID 79416737
5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine
CID 79417297
1-[1-bromo-5-(2-methoxyethoxy)pentan-2-yl]-3-methylbenzene
CID 103415429
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
6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine
CID 104649439
2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine
CID 79442906
N-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412592
N-ethyl-4-(2-methoxyethoxy)-2-phenylbutan-1-amine
CID 65430591
N-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine
CID 79417115
N-methyl-2-(3-methylphenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 79416655
5-(2-methoxyethoxy)-N-methyl-2-phenylpentan-1-amine
CID 103412550

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine?
The IUPAC name of N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine (CID 103412573) is N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine.
What is the SMILES notation for N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine?
The canonical SMILES for N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine is CCNCC(CCCOCCOC)c1cccc(C)c1.
What is the InChIKey of N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine?
The InChIKey is AJTQTQQCFVKJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-18-14-17(9-6-10-20-12-11-19-3)16-8-5-7-15(2)13-16/h5,7-8,13,17-18H,4,6,9-12,14H2,1-3H3.
What are the key properties of N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine?
N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.13, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine is sourced from PubChem (CID 103412573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).