2-[(3-methoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine

C16H25NO — CID 79339218

IUPAC2-[(3-methoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
SMILESCCC(=Cc1cccc(OC)c1)CNCC(C)C
InChIInChI=1S/C16H25NO/c1-5-14(12-17-11-13(2)3)9-15-7-6-8-16(10-15)18-4/h6-10,13,17H,5,11-12H2,1-4H3
InChIKeyKTZDEUVEPWKDAO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.73
Rot. Bonds7

About 2-[(3-methoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine

2-[(3-methoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine (PubChem CID 79339218) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
PubChem CID79339218
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[(3-methoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
SMILESCCC(=Cc1cccc(OC)c1)CNCC(C)C
InChIInChI=1S/C16H25NO/c1-5-14(12-17-11-13(2)3)9-15-7-6-8-16(10-15)18-4/h6-10,13,17H,5,11-12H2,1-4H3
InChIKeyKTZDEUVEPWKDAO-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79329371
N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79339792
2-(furan-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine
CID 79329717
3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344285
1-[2-(bromomethyl)but-1-enyl]-3-propan-2-yloxybenzene
CID 79323289
2-[(4-bromo-3-nitrophenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79330384
3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338398
2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339393
3-(3-methoxyphenyl)-2-methylprop-2-enal
CID 54057122
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)acetamide
CID 108993195
2-[(3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79329580
3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338287

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-[(3-methoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine (CID 79339218) is 2-[(3-methoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine is CCC(=Cc1cccc(OC)c1)CNCC(C)C.
What is the InChIKey of 2-[(3-methoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine?
The InChIKey is KTZDEUVEPWKDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-14(12-17-11-13(2)3)9-15-7-6-8-16(10-15)18-4/h6-10,13,17H,5,11-12H2,1-4H3.
What are the key properties of 2-[(3-methoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine?
2-[(3-methoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 79339218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).