2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-1-amine

C16H25NO — CID 79329088

IUPAC2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-1-amine
SMILESCCCNCC(=Cc1ccccc1COC)CC
InChIInChI=1S/C16H25NO/c1-4-10-17-12-14(5-2)11-15-8-6-7-9-16(15)13-18-3/h6-9,11,17H,4-5,10,12-13H2,1-3H3
InChIKeyJBJFBIFSZXWVTG-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.63
Rot. Bonds8

About 2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-1-amine

2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-1-amine (PubChem CID 79329088) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-1-amine
PubChem CID79329088
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-1-amine
SMILESCCCNCC(=Cc1ccccc1COC)CC
InChIInChI=1S/C16H25NO/c1-4-10-17-12-14(5-2)11-15-8-6-7-9-16(15)13-18-3/h6-9,11,17H,4-5,10,12-13H2,1-3H3
InChIKeyJBJFBIFSZXWVTG-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-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

2-[(2-fluorophenyl)methylidene]-N-propylbutan-1-amine
CID 79329556
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylidene]-N-propylbutan-1-amine
CID 79329735
3-[2-(methoxymethyl)phenyl]-N,2-dimethylprop-2-en-1-amine
CID 79341607
2-[(2,3-dimethylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79338864
2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79338998
N-tert-butyl-3-[2-(methoxymethyl)phenyl]-2-methylprop-2-en-1-amine
CID 79340745
2-[(5-methylthiophen-2-yl)methylidene]-N-propylbutan-1-amine
CID 79329770
2-[(3,5-dibromo-2-methoxyphenyl)methylidene]-N-propylbutan-1-amine
CID 79330453
3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid
CID 79725443
2-[(4-ethylphenyl)methylidene]-N-propylbutan-1-amine
CID 79329321
N-propyl-2-(quinolin-2-ylmethylidene)butan-1-amine
CID 79329672
N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)butan-1-amine
CID 79330340

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-1-amine?
The IUPAC name of 2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-1-amine (CID 79329088) is 2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-1-amine.
What is the SMILES notation for 2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-1-amine?
The canonical SMILES for 2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-1-amine is CCCNCC(=Cc1ccccc1COC)CC.
What is the InChIKey of 2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-1-amine?
The InChIKey is JBJFBIFSZXWVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-10-17-12-14(5-2)11-15-8-6-7-9-16(15)13-18-3/h6-9,11,17H,4-5,10,12-13H2,1-3H3.
What are the key properties of 2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-1-amine?
2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-1-amine is sourced from PubChem (CID 79329088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).