2-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-methylbutan-1-amine

C16H25NO2 — CID 79323028

IUPAC2-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-methylbutan-1-amine
SMILESCOc1cccc(C=C(CN)C(C)C)c1OC(C)C
InChIInChI=1S/C16H25NO2/c1-11(2)14(10-17)9-13-7-6-8-15(18-5)16(13)19-12(3)4/h6-9,11-12H,10,17H2,1-5H3
InChIKeyDECNEVOHBARCQJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.48
Rot. Bonds6

About 2-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-methylbutan-1-amine

2-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-methylbutan-1-amine (PubChem CID 79323028) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-methylbutan-1-amine
PubChem CID79323028
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-methylbutan-1-amine
SMILESCOc1cccc(C=C(CN)C(C)C)c1OC(C)C
InChIInChI=1S/C16H25NO2/c1-11(2)14(10-17)9-13-7-6-8-15(18-5)16(13)19-12(3)4/h6-9,11-12H,10,17H2,1-5H3
InChIKeyDECNEVOHBARCQJ-UHFFFAOYSA-N
XLogP3.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(bromomethyl)-3-methylbut-1-enyl]-3-methoxy-2-propan-2-yloxybenzene
CID 79323643
3-(3-methoxy-2-propan-2-yloxyphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340211
prop-2-enyl (E)-2-cyano-3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enoate
CID 7972797
3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-amine
CID 79321888
1-[2-(chloromethyl)-3-methylbut-1-enyl]-2-methoxybenzene
CID 79334601
2-[(3-ethoxy-2-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine
CID 79339431
3-[2-(difluoromethoxy)-3-methoxyphenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340405
(E)-4-(1,3-benzothiazol-2-yl)-5-(3-methoxy-2-propan-2-yloxyphenyl)pent-4-enoate
CID 7516010
N-[3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enyl]cyclopropanamine
CID 79347726
N-ethyl-3-methyl-2-[(2-propan-2-yloxyphenyl)methylidene]butan-1-amine
CID 79339603
N-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine
CID 126016158
N-[4-[(2S)-butan-2-yl]phenyl]-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine
CID 126016161

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-methylbutan-1-amine?
The IUPAC name of 2-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-methylbutan-1-amine (CID 79323028) is 2-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-methylbutan-1-amine?
The canonical SMILES for 2-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-methylbutan-1-amine is COc1cccc(C=C(CN)C(C)C)c1OC(C)C.
What is the InChIKey of 2-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-methylbutan-1-amine?
The InChIKey is DECNEVOHBARCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)14(10-17)9-13-7-6-8-15(18-5)16(13)19-12(3)4/h6-9,11-12H,10,17H2,1-5H3.
What are the key properties of 2-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-methylbutan-1-amine?
2-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-methylbutan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-methylbutan-1-amine is sourced from PubChem (CID 79323028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).