4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine

C17H29NO2 — CID 115600157

IUPAC4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
SMILESCOCCOCCCCNCc1ccc(C(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-15(2)17-8-6-16(7-9-17)14-18-10-4-5-11-20-13-12-19-3/h6-9,15,18H,4-5,10-14H2,1-3H3
InChIKeyUPSASWZJUBBLEK-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.34
Rot. Bonds11

About 4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine

4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine (PubChem CID 115600157) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
PubChem CID115600157
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
SMILESCOCCOCCCCNCc1ccc(C(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-15(2)17-8-6-16(7-9-17)14-18-10-4-5-11-20-13-12-19-3/h6-9,15,18H,4-5,10-14H2,1-3H3
InChIKeyUPSASWZJUBBLEK-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[3-(2-methoxyethoxy)propylamino]methyl]phenyl]methanol
CID 107230997
N-[2-[2-[2-[(4-propan-2-ylphenyl)methylamino]ethoxy]ethoxy]ethyl]propan-2-amine
CID 170953319
4-(2-methoxyethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 115600231
methyl 4-[(4-propan-2-ylphenyl)methylamino]butanoate
CID 54917794
4-iodo-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 106844555
N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride
CID 17331857
3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 28720665
2-(2-chloroethoxy)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 65023956
N'-(2-methoxyethyl)-N'-methyl-N-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine
CID 62843413
N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 115660085
N'-[3-[(4-propan-2-ylphenyl)methylamino]propyl]butane-1,4-diamine
CID 58965144
2-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methylphenyl)methyl]ethanamine
CID 104561561

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine?
The IUPAC name of 4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine (CID 115600157) is 4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine?
The canonical SMILES for 4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine is COCCOCCCCNCc1ccc(C(C)C)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine?
The InChIKey is UPSASWZJUBBLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-15(2)17-8-6-16(7-9-17)14-18-10-4-5-11-20-13-12-19-3/h6-9,15,18H,4-5,10-14H2,1-3H3.
What are the key properties of 4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine?
4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.34, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 115600157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).