1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine

C14H21NO — CID 60907948

IUPAC1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
SMILESC/C=C/COc1ccc(CC(N)CC)cc1
InChIInChI=1S/C14H21NO/c1-3-5-10-16-14-8-6-12(7-9-14)11-13(15)4-2/h3,5-9,13H,4,10-11,15H2,1-2H3/b5-3+
InChIKeyBHWZHZFCQDVXDZ-HWKANZROSA-N
MW219.33 g/mol
LogP2.92
Rot. Bonds6

About 1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine

1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine (PubChem CID 60907948) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
PubChem CID60907948
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
SMILESC/C=C/COc1ccc(CC(N)CC)cc1
InChIInChI=1S/C14H21NO/c1-3-5-10-16-14-8-6-12(7-9-14)11-13(15)4-2/h3,5-9,13H,4,10-11,15H2,1-2H3/b5-3+
InChIKeyBHWZHZFCQDVXDZ-HWKANZROSA-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-(4-ethoxyphenyl)butan-2-amine
CID 43566029
1-but-2-enoxy-4-but-2-enylbenzene
CID 70608541
2-amino-3-[4-[(E)-but-2-enoxy]phenyl]propanoic acid
CID 143493409
1-[4-[(E)-but-2-enoxy]-3-methoxyphenyl]butan-2-amine
CID 54928940
1-[4-[(E)-but-2-enoxy]-3-fluorophenyl]butan-2-amine
CID 107693440
1-[4-(4-ethoxyphenoxy)phenyl]butan-2-amine
CID 63816977
4-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
CID 60879766
1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60906849
(1S)-1-(4-but-2-enoxyphenyl)propan-1-ol
CID 78934082
1-[4-(2-bromoprop-2-enoxy)phenyl]butan-2-amine
CID 60907565
1-[4-(cyclobutylmethoxy)phenyl]butan-2-amine
CID 65459298
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride
CID 170889301

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine (CID 60907948) is 1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine is C/C=C/COc1ccc(CC(N)CC)cc1.
What is the InChIKey of 1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine?
The InChIKey is BHWZHZFCQDVXDZ-HWKANZROSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-5-10-16-14-8-6-12(7-9-14)11-13(15)4-2/h3,5-9,13H,4,10-11,15H2,1-2H3/b5-3+.
What are the key properties of 1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine?
1-[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 1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine is sourced from PubChem (CID 60907948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).