4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine

C18H31NO — CID 82930758

IUPAC4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine
SMILESCCC(CC)CC(CNCCOC)c1cccc(C)c1
InChIInChI=1S/C18H31NO/c1-5-16(6-2)13-18(14-19-10-11-20-4)17-9-7-8-15(3)12-17/h7-9,12,16,18-19H,5-6,10-11,13-14H2,1-4H3
InChIKeyTWWGDRUMUNLIBN-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.14
Rot. Bonds10

About 4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine

4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine (PubChem CID 82930758) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine
PubChem CID82930758
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine
SMILESCCC(CC)CC(CNCCOC)c1cccc(C)c1
InChIInChI=1S/C18H31NO/c1-5-16(6-2)13-18(14-19-10-11-20-4)17-9-7-8-15(3)12-17/h7-9,12,16,18-19H,5-6,10-11,13-14H2,1-4H3
InChIKeyTWWGDRUMUNLIBN-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.14
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

2-(3-bromophenyl)-4-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 82929807
3-(furan-3-yl)-N-(2-methoxyethyl)-2-(3-methylphenyl)propan-1-amine
CID 83183304
5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine
CID 79417297
6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine
CID 104649439
2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-methylheptan-1-amine
CID 79442641
N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(oxan-4-yl)propan-1-amine
CID 79422692
4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine
CID 103183665
N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79422698
N-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine
CID 79416737
N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine
CID 103412573
2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine
CID 82933659
2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649483

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine?
The IUPAC name of 4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine (CID 82930758) is 4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine.
What is the SMILES notation for 4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine?
The canonical SMILES for 4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine is CCC(CC)CC(CNCCOC)c1cccc(C)c1.
What is the InChIKey of 4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine?
The InChIKey is TWWGDRUMUNLIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-16(6-2)13-18(14-19-10-11-20-4)17-9-7-8-15(3)12-17/h7-9,12,16,18-19H,5-6,10-11,13-14H2,1-4H3.
What are the key properties of 4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine?
4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine is sourced from PubChem (CID 82930758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).