2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine

C18H31NO — CID 83150266

IUPAC2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
SMILESCCc1ccc(CC(C)(CNCCOC)C(C)C)cc1
InChIInChI=1S/C18H31NO/c1-6-16-7-9-17(10-8-16)13-18(4,15(2)3)14-19-11-12-20-5/h7-10,15,19H,6,11-14H2,1-5H3
InChIKeyYBNHZCWZYUOPDU-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.69
Rot. Bonds9

About 2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine

2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine (PubChem CID 83150266) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
PubChem CID83150266
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
SMILESCCc1ccc(CC(C)(CNCCOC)C(C)C)cc1
InChIInChI=1S/C18H31NO/c1-6-16-7-9-17(10-8-16)13-18(4,15(2)3)14-19-11-12-20-5/h7-10,15,19H,6,11-14H2,1-5H3
InChIKeyYBNHZCWZYUOPDU-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 53.69
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-[(4-ethylphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151559
2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150572
N-(2-methoxyethyl)-2,3-dimethyl-2-(2-phenoxyethyl)butan-1-amine
CID 83151570
2-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150001
N-(2-methoxyethyl)-2,4-dimethyl-2-propan-2-ylpentan-1-amine
CID 83151451
2-[(2-fluoro-3-methoxyphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 104794766
2-[(4-ethylphenyl)methyl]-2,3-dimethylbutan-1-ol
CID 83150614
N-(2-methoxyethyl)-2,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine
CID 83151789
N-(2-methoxyethyl)-2-methyl-2-propan-2-yldecan-1-amine
CID 83150997
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150871
2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 62720244
1-(4-tert-butylphenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66038264

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine (CID 83150266) is 2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine is CCc1ccc(CC(C)(CNCCOC)C(C)C)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine?
The InChIKey is YBNHZCWZYUOPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-16-7-9-17(10-8-16)13-18(4,15(2)3)14-19-11-12-20-5/h7-10,15,19H,6,11-14H2,1-5H3.
What are the key properties of 2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine?
2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 83150266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).