4-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine

C14H21NO — CID 60879766

IUPAC4-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
SMILESC/C=C/COc1ccc(CCC(C)N)cc1
InChIInChI=1S/C14H21NO/c1-3-4-11-16-14-9-7-13(8-10-14)6-5-12(2)15/h3-4,7-10,12H,5-6,11,15H2,1-2H3/b4-3+
InChIKeyYRNVWXZFRCVQSE-ONEGZZNKSA-N
MW219.33 g/mol
LogP2.92
Rot. Bonds6

About 4-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine

4-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine (PubChem CID 60879766) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
PubChem CID60879766
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
SMILESC/C=C/COc1ccc(CCC(C)N)cc1
InChIInChI=1S/C14H21NO/c1-3-4-11-16-14-9-7-13(8-10-14)6-5-12(2)15/h3-4,7-10,12H,5-6,11,15H2,1-2H3/b4-3+
InChIKeyYRNVWXZFRCVQSE-ONEGZZNKSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-but-2-enoxy-4-but-2-enylbenzene
CID 70608541
1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
CID 60907948
4-[4-(2-ethylbutoxy)phenyl]butan-2-amine
CID 82926712
4-[4-(2-methoxypropoxy)phenyl]butan-2-amine
CID 113382671
4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 43184619
4-[4-(3-methylbut-3-enoxy)phenyl]butan-2-amine
CID 114471370
4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine
CID 65175903
4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 16786701
4-[4-(3-phenylpropoxy)phenyl]butan-2-amine
CID 43094230
2-amino-3-[4-[(E)-but-2-enoxy]phenyl]propanoic acid
CID 143493409
methyl 3-(4-but-2-enoxyphenyl)propanoate
CID 71395339
4-(4-but-3-en-2-yloxyphenyl)butan-2-amine
CID 62389671

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine?
The IUPAC name of 4-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine (CID 60879766) is 4-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine.
What is the SMILES notation for 4-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine?
The canonical SMILES for 4-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine is C/C=C/COc1ccc(CCC(C)N)cc1.
What is the InChIKey of 4-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine?
The InChIKey is YRNVWXZFRCVQSE-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-4-11-16-14-9-7-13(8-10-14)6-5-12(2)15/h3-4,7-10,12H,5-6,11,15H2,1-2H3/b4-3+.
What are the key properties of 4-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine?
4-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine is sourced from PubChem (CID 60879766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).