1-[2-[(E)-but-2-enoxy]-5-chlorophenyl]butan-2-amine

C14H20ClNO — CID 54929309

IUPAC1-[2-[(E)-but-2-enoxy]-5-chlorophenyl]butan-2-amine
SMILESC/C=C/COc1ccc(Cl)cc1CC(N)CC
InChIInChI=1S/C14H20ClNO/c1-3-5-8-17-14-7-6-12(15)9-11(14)10-13(16)4-2/h3,5-7,9,13H,4,8,10,16H2,1-2H3/b5-3+
InChIKeyFENVKDRXHVONEW-HWKANZROSA-N
MW253.77 g/mol
LogP3.57
Rot. Bonds6

About 1-[2-[(E)-but-2-enoxy]-5-chlorophenyl]butan-2-amine

1-[2-[(E)-but-2-enoxy]-5-chlorophenyl]butan-2-amine (PubChem CID 54929309) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-[2-[(E)-but-2-enoxy]-5-chlorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-[(E)-but-2-enoxy]-5-chlorophenyl]butan-2-amine
PubChem CID54929309
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-[2-[(E)-but-2-enoxy]-5-chlorophenyl]butan-2-amine
SMILESC/C=C/COc1ccc(Cl)cc1CC(N)CC
InChIInChI=1S/C14H20ClNO/c1-3-5-8-17-14-7-6-12(15)9-11(14)10-13(16)4-2/h3,5-7,9,13H,4,8,10,16H2,1-2H3/b5-3+
InChIKeyFENVKDRXHVONEW-HWKANZROSA-N
XLogP3.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.57
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-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine
CID 63421655
1-[4-[(E)-but-2-enoxy]-3-fluorophenyl]butan-2-amine
CID 107693440
1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 54929442
1-[4-[(E)-but-2-enoxy]-3-methoxyphenyl]butan-2-amine
CID 54928940
1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 114862972
1-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
CID 103411518
1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine
CID 114862910
1-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]butan-2-amine
CID 114863152
2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-prop-2-enylacetamide
CID 60906880
1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]butan-2-amine
CID 104807746
2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide
CID 60908333
1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136586

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-but-2-enoxy]-5-chlorophenyl]butan-2-amine?
The IUPAC name of 1-[2-[(E)-but-2-enoxy]-5-chlorophenyl]butan-2-amine (CID 54929309) is 1-[2-[(E)-but-2-enoxy]-5-chlorophenyl]butan-2-amine.
What is the SMILES notation for 1-[2-[(E)-but-2-enoxy]-5-chlorophenyl]butan-2-amine?
The canonical SMILES for 1-[2-[(E)-but-2-enoxy]-5-chlorophenyl]butan-2-amine is C/C=C/COc1ccc(Cl)cc1CC(N)CC.
What is the InChIKey of 1-[2-[(E)-but-2-enoxy]-5-chlorophenyl]butan-2-amine?
The InChIKey is FENVKDRXHVONEW-HWKANZROSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-5-8-17-14-7-6-12(15)9-11(14)10-13(16)4-2/h3,5-7,9,13H,4,8,10,16H2,1-2H3/b5-3+.
What are the key properties of 1-[2-[(E)-but-2-enoxy]-5-chlorophenyl]butan-2-amine?
1-[2-[(E)-but-2-enoxy]-5-chlorophenyl]butan-2-amine has a molecular weight of 253.77 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-but-2-enoxy]-5-chlorophenyl]butan-2-amine is sourced from PubChem (CID 54929309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).