2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine

C17H27NO — CID 79339393

IUPAC2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCOc1ccc(C=C(CNCC(C)C)C(C)C)cc1
InChIInChI=1S/C17H27NO/c1-13(2)11-18-12-16(14(3)4)10-15-6-8-17(19-5)9-7-15/h6-10,13-14,18H,11-12H2,1-5H3
InChIKeyWIZHSCUYZJMUOP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.98
Rot. Bonds7

About 2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine

2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 79339393) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID79339393
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCOc1ccc(C=C(CNCC(C)C)C(C)C)cc1
InChIInChI=1S/C17H27NO/c1-13(2)11-18-12-16(14(3)4)10-15-6-8-17(19-5)9-7-15/h6-10,13-14,18H,11-12H2,1-5H3
InChIKeyWIZHSCUYZJMUOP-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338398
2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339124
3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344285
1-[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]-3-methylbutan-2-ol
CID 109396219
1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone
CID 94258475
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 50999745
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79342677
N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79339792
N,3-dimethyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine
CID 79339946
methyl 4-[2-methyl-3-(2-methylpropylamino)prop-1-enyl]benzoate
CID 79337977
(2E)-2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79976727
2-[(3-methoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79339218

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 79339393) is 2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine is COc1ccc(C=C(CNCC(C)C)C(C)C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is WIZHSCUYZJMUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)11-18-12-16(14(3)4)10-15-6-8-17(19-5)9-7-15/h6-10,13-14,18H,11-12H2,1-5H3.
What are the key properties of 2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine?
2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 79339393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).