N-(2-methoxyethyl)-3-methyl-2-[(3-methylphenyl)methylidene]butan-1-amine

C16H25NO — CID 79347991

IUPACN-(2-methoxyethyl)-3-methyl-2-[(3-methylphenyl)methylidene]butan-1-amine
SMILESCOCCNCC(=Cc1cccc(C)c1)C(C)C
InChIInChI=1S/C16H25NO/c1-13(2)16(12-17-8-9-18-4)11-15-7-5-6-14(3)10-15/h5-7,10-11,13,17H,8-9,12H2,1-4H3
InChIKeyRNWNYOCWTIHQNE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.27
Rot. Bonds7

About N-(2-methoxyethyl)-3-methyl-2-[(3-methylphenyl)methylidene]butan-1-amine

N-(2-methoxyethyl)-3-methyl-2-[(3-methylphenyl)methylidene]butan-1-amine (PubChem CID 79347991) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-2-[(3-methylphenyl)methylidene]butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-2-[(3-methylphenyl)methylidene]butan-1-amine
PubChem CID79347991
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2-methoxyethyl)-3-methyl-2-[(3-methylphenyl)methylidene]butan-1-amine
SMILESCOCCNCC(=Cc1cccc(C)c1)C(C)C
InChIInChI=1S/C16H25NO/c1-13(2)16(12-17-8-9-18-4)11-15-7-5-6-14(3)10-15/h5-7,10-11,13,17H,8-9,12H2,1-4H3
InChIKeyRNWNYOCWTIHQNE-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.27
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

2-[(3-bromophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79347877
N-(2-methoxyethyl)-3-methyl-2-[(3-nitrophenyl)methylidene]butan-1-amine
CID 79339304
2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79342914
(2E)-2-[(3,5-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 106534568
2-[(2,6-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79347760
N-(2-methoxyethyl)-3-methyl-2-[(2,4,5-trimethylphenyl)methylidene]butan-1-amine
CID 79347105
3-methyl-2-[(3-methylphenyl)methylidene]butan-1-ol
CID 79334428
N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79339792
(E)-N-(2-methoxyethyl)-4-phenyl-2-propan-2-ylpent-2-en-1-amine
CID 107293125
2-[(5-bromothiophen-2-yl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79339930
(2E)-3-methyl-N-propyl-2-[[3-(trifluoromethoxy)phenyl]methylidene]butan-1-amine
CID 107105341
N-(2-methoxyethyl)-2-methyl-3-(3-nitrophenyl)prop-2-en-1-amine
CID 79337978

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methyl-2-[(3-methylphenyl)methylidene]butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-2-[(3-methylphenyl)methylidene]butan-1-amine (CID 79347991) is N-(2-methoxyethyl)-3-methyl-2-[(3-methylphenyl)methylidene]butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-2-[(3-methylphenyl)methylidene]butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-2-[(3-methylphenyl)methylidene]butan-1-amine is COCCNCC(=Cc1cccc(C)c1)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-2-[(3-methylphenyl)methylidene]butan-1-amine?
The InChIKey is RNWNYOCWTIHQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)16(12-17-8-9-18-4)11-15-7-5-6-14(3)10-15/h5-7,10-11,13,17H,8-9,12H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-3-methyl-2-[(3-methylphenyl)methylidene]butan-1-amine?
N-(2-methoxyethyl)-3-methyl-2-[(3-methylphenyl)methylidene]butan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-2-[(3-methylphenyl)methylidene]butan-1-amine is sourced from PubChem (CID 79347991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).