N-(2-methoxyethyl)-4-methyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine

C19H33NO — CID 63507800

IUPACN-(2-methoxyethyl)-4-methyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine
SMILESCOCCNCC(Cc1c(C)cc(C)cc1C)CC(C)C
InChIInChI=1S/C19H33NO/c1-14(2)9-18(13-20-7-8-21-6)12-19-16(4)10-15(3)11-17(19)5/h10-11,14,18,20H,7-9,12-13H2,1-6H3
InChIKeyWPOQIGUNRSOTNX-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.05
Rot. Bonds9

About N-(2-methoxyethyl)-4-methyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine

N-(2-methoxyethyl)-4-methyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine (PubChem CID 63507800) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine
PubChem CID63507800
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-(2-methoxyethyl)-4-methyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine
SMILESCOCCNCC(Cc1c(C)cc(C)cc1C)CC(C)C
InChIInChI=1S/C19H33NO/c1-14(2)9-18(13-20-7-8-21-6)12-19-16(4)10-15(3)11-17(19)5/h10-11,14,18,20H,7-9,12-13H2,1-6H3
InChIKeyWPOQIGUNRSOTNX-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.05
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

N-(2-methoxyethyl)-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine
CID 62717677
2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 62725640
N-(2-methoxyethyl)-5-methyl-2-(2-methylpropyl)hexan-1-amine
CID 62718638
2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 55111296
N-propyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
CID 63523301
N-(2-methoxyethyl)-2-(2-methylpropyl)hexan-1-amine
CID 62718637
2-[(3,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)butan-1-amine
CID 62718496
N-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 113405525
N-(2-methoxyethyl)-4-methyl-2-(trimethylsilylmethyl)pentan-1-amine
CID 106323555
3-methyl-N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)butan-1-amine
CID 81015450
2-[(2-chloro-3-fluorophenyl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 115984227
N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine
CID 83148264

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine (CID 63507800) is N-(2-methoxyethyl)-4-methyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine is COCCNCC(Cc1c(C)cc(C)cc1C)CC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine?
The InChIKey is WPOQIGUNRSOTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-14(2)9-18(13-20-7-8-21-6)12-19-16(4)10-15(3)11-17(19)5/h10-11,14,18,20H,7-9,12-13H2,1-6H3.
What are the key properties of N-(2-methoxyethyl)-4-methyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine?
N-(2-methoxyethyl)-4-methyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 63507800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).