N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine

C15H23NO — CID 79339792

IUPACN-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine
SMILESCCNCC(=Cc1cccc(OC)c1)C(C)C
InChIInChI=1S/C15H23NO/c1-5-16-11-14(12(2)3)9-13-7-6-8-15(10-13)17-4/h6-10,12,16H,5,11H2,1-4H3
InChIKeyVAEFUUFWMGXVCB-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.34
Rot. Bonds6

About N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine

N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine (PubChem CID 79339792) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine
PubChem CID79339792
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine
SMILESCCNCC(=Cc1cccc(OC)c1)C(C)C
InChIInChI=1S/C15H23NO/c1-5-16-11-14(12(2)3)9-13-7-6-8-15(10-13)17-4/h6-10,12,16H,5,11H2,1-4H3
InChIKeyVAEFUUFWMGXVCB-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-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

N-ethyl-3-methyl-2-[(3-propoxyphenyl)methylidene]butan-1-amine
CID 79339427
N-ethyl-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79338705
2-[(3-methoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79339218
(2E)-3-methyl-N-propyl-2-[[3-(trifluoromethoxy)phenyl]methylidene]butan-1-amine
CID 107105341
N-ethyl-3-methyl-2-[(2,4,6-trimethoxyphenyl)methylidene]butan-1-amine
CID 79341964
N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine
CID 79340694
N,3-dimethyl-2-[(3-phenoxyphenyl)methylidene]butan-1-amine
CID 79341732
(2E)-N-ethyl-2-[(6-methoxy-2-pyridinyl)methylidene]-3-methylbutan-1-amine
CID 103348760
3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79341319
N-(2-methoxyethyl)-3-methyl-2-[(3-methylphenyl)methylidene]butan-1-amine
CID 79347991
2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339393
2-[(3-bromophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79347877

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine?
The IUPAC name of N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine (CID 79339792) is N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine?
The canonical SMILES for N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine is CCNCC(=Cc1cccc(OC)c1)C(C)C.
What is the InChIKey of N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine?
The InChIKey is VAEFUUFWMGXVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-16-11-14(12(2)3)9-13-7-6-8-15(10-13)17-4/h6-10,12,16H,5,11H2,1-4H3.
What are the key properties of N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine?
N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine is sourced from PubChem (CID 79339792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).