1-[4-(2-methoxyethyl)phenyl]-N-methylnonan-1-amine

C19H33NO — CID 65450078

IUPAC1-[4-(2-methoxyethyl)phenyl]-N-methylnonan-1-amine
SMILESCCCCCCCCC(NC)c1ccc(CCOC)cc1
InChIInChI=1S/C19H33NO/c1-4-5-6-7-8-9-10-19(20-2)18-13-11-17(12-14-18)15-16-21-3/h11-14,19-20H,4-10,15-16H2,1-3H3
InChIKeyZUGFLQQLJKTOLS-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.89
Rot. Bonds12

About 1-[4-(2-methoxyethyl)phenyl]-N-methylnonan-1-amine

1-[4-(2-methoxyethyl)phenyl]-N-methylnonan-1-amine (PubChem CID 65450078) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-[4-(2-methoxyethyl)phenyl]-N-methylnonan-1-amine.

Molecular Properties

Compound Name1-[4-(2-methoxyethyl)phenyl]-N-methylnonan-1-amine
PubChem CID65450078
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-[4-(2-methoxyethyl)phenyl]-N-methylnonan-1-amine
SMILESCCCCCCCCC(NC)c1ccc(CCOC)cc1
InChIInChI=1S/C19H33NO/c1-4-5-6-7-8-9-10-19(20-2)18-13-11-17(12-14-18)15-16-21-3/h11-14,19-20H,4-10,15-16H2,1-3H3
InChIKeyZUGFLQQLJKTOLS-UHFFFAOYSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.89
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

1-[4-(2-methoxyethyl)phenyl]-N,4-dimethylpentan-1-amine
CID 43482360
1-(1-bromodecyl)-4-(2-methoxyethyl)benzene
CID 65428907
1-[4-(2-methoxyethyl)phenyl]decan-1-amine
CID 65449887
1-(4-iodophenyl)-N-methyldecan-1-amine
CID 115831490
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744
1-(4-ethoxyphenyl)-N-methylheptan-1-amine
CID 114752328
1-(4-ethylsulfanylphenyl)-N-methylnonan-1-amine
CID 106848917
N-methyl-1-pyridin-4-yldecan-1-amine
CID 62600532
4-methoxy-N-methyl-1-(4-methylphenyl)butan-1-amine
CID 62602221
N-methyl-1-(4-propan-2-yloxyphenyl)hexan-1-amine
CID 43485534
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylnonan-1-amine
CID 65447633
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine
CID 43483285

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethyl)phenyl]-N-methylnonan-1-amine?
The IUPAC name of 1-[4-(2-methoxyethyl)phenyl]-N-methylnonan-1-amine (CID 65450078) is 1-[4-(2-methoxyethyl)phenyl]-N-methylnonan-1-amine.
What is the SMILES notation for 1-[4-(2-methoxyethyl)phenyl]-N-methylnonan-1-amine?
The canonical SMILES for 1-[4-(2-methoxyethyl)phenyl]-N-methylnonan-1-amine is CCCCCCCCC(NC)c1ccc(CCOC)cc1.
What is the InChIKey of 1-[4-(2-methoxyethyl)phenyl]-N-methylnonan-1-amine?
The InChIKey is ZUGFLQQLJKTOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-4-5-6-7-8-9-10-19(20-2)18-13-11-17(12-14-18)15-16-21-3/h11-14,19-20H,4-10,15-16H2,1-3H3.
What are the key properties of 1-[4-(2-methoxyethyl)phenyl]-N-methylnonan-1-amine?
1-[4-(2-methoxyethyl)phenyl]-N-methylnonan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.89, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethyl)phenyl]-N-methylnonan-1-amine is sourced from PubChem (CID 65450078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).