(E)-4-(2-methoxy-4-propan-2-ylphenyl)-5-methylhex-3-en-1-amine

C17H27NO — CID 95467826

IUPAC(E)-4-(2-methoxy-4-propan-2-ylphenyl)-5-methylhex-3-en-1-amine
SMILESCOc1cc(C(C)C)ccc1/C(=C/CCN)C(C)C
InChIInChI=1S/C17H27NO/c1-12(2)14-8-9-16(17(11-14)19-5)15(13(3)4)7-6-10-18/h7-9,11-13H,6,10,18H2,1-5H3/b15-7+
InChIKeyGMIVOMYNAXLEII-VIZOYTHASA-N
MW261.41 g/mol
LogP4.21
Rot. Bonds6

About (E)-4-(2-methoxy-4-propan-2-ylphenyl)-5-methylhex-3-en-1-amine

(E)-4-(2-methoxy-4-propan-2-ylphenyl)-5-methylhex-3-en-1-amine (PubChem CID 95467826) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (E)-4-(2-methoxy-4-propan-2-ylphenyl)-5-methylhex-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(2-methoxy-4-propan-2-ylphenyl)-5-methylhex-3-en-1-amine
PubChem CID95467826
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(E)-4-(2-methoxy-4-propan-2-ylphenyl)-5-methylhex-3-en-1-amine
SMILESCOc1cc(C(C)C)ccc1/C(=C/CCN)C(C)C
InChIInChI=1S/C17H27NO/c1-12(2)14-8-9-16(17(11-14)19-5)15(13(3)4)7-6-10-18/h7-9,11-13H,6,10,18H2,1-5H3/b15-7+
InChIKeyGMIVOMYNAXLEII-VIZOYTHASA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-(2,4-dimethoxyphenyl)-5-methylhex-3-en-1-amine
CID 95460067
(E)-3-(2-methoxy-4-propan-2-ylphenyl)-4-methylpent-2-enoic acid
CID 82302738
(E)-4-(4-methoxy-3-propan-2-ylphenyl)-5-methylhex-3-en-1-amine
CID 95467750
(E)-5-(4-methoxy-2,3-dimethylphenyl)-6-methylhept-4-en-1-amine
CID 95467879
ethyl 2-methoxy-4-propan-2-ylbenzoate
CID 116964804
2-amino-3-(2-methoxy-4-propan-2-ylphenyl)-3-oxopropanoic acid
CID 116920512
amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637
2-amino-1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-one
CID 116915369
1-amino-3-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 116859156
N-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide
CID 115271618
2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 82492357
1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-methoxy-4-propan-2-ylphenyl)-5-methylhex-3-en-1-amine?
The IUPAC name of (E)-4-(2-methoxy-4-propan-2-ylphenyl)-5-methylhex-3-en-1-amine (CID 95467826) is (E)-4-(2-methoxy-4-propan-2-ylphenyl)-5-methylhex-3-en-1-amine.
What is the SMILES notation for (E)-4-(2-methoxy-4-propan-2-ylphenyl)-5-methylhex-3-en-1-amine?
The canonical SMILES for (E)-4-(2-methoxy-4-propan-2-ylphenyl)-5-methylhex-3-en-1-amine is COc1cc(C(C)C)ccc1/C(=C/CCN)C(C)C.
What is the InChIKey of (E)-4-(2-methoxy-4-propan-2-ylphenyl)-5-methylhex-3-en-1-amine?
The InChIKey is GMIVOMYNAXLEII-VIZOYTHASA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)14-8-9-16(17(11-14)19-5)15(13(3)4)7-6-10-18/h7-9,11-13H,6,10,18H2,1-5H3/b15-7+.
What are the key properties of (E)-4-(2-methoxy-4-propan-2-ylphenyl)-5-methylhex-3-en-1-amine?
(E)-4-(2-methoxy-4-propan-2-ylphenyl)-5-methylhex-3-en-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-methoxy-4-propan-2-ylphenyl)-5-methylhex-3-en-1-amine is sourced from PubChem (CID 95467826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).