1-[3-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine

C11H14ClNO — CID 60880709

IUPAC1-[3-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine
SMILESCC(N)c1cccc(OC/C=C/Cl)c1
InChIInChI=1S/C11H14ClNO/c1-9(13)10-4-2-5-11(8-10)14-7-3-6-12/h2-6,8-9H,7,13H2,1H3/b6-3+
InChIKeyUYBBCUSINZHRAU-ZZXKWVIFSA-N
MW211.69 g/mol
LogP2.84
Rot. Bonds4

About 1-[3-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine

1-[3-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine (PubChem CID 60880709) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-[3-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine
PubChem CID60880709
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-[3-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine
SMILESCC(N)c1cccc(OC/C=C/Cl)c1
InChIInChI=1S/C11H14ClNO/c1-9(13)10-4-2-5-11(8-10)14-7-3-6-12/h2-6,8-9H,7,13H2,1H3/b6-3+
InChIKeyUYBBCUSINZHRAU-ZZXKWVIFSA-N
XLogP2.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloroprop-2-enoxy)-3-methylbenzene
CID 554611
4-(3-propan-2-ylphenoxy)but-2-en-1-amine
CID 77110614
(1R)-1-[4-[(E)-3-chloroprop-2-enoxy]-2-fluorophenyl]ethanamine
CID 107718193
(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
CID 30071838
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499
1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104646853
(1R)-1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104647096
1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride
CID 131801467
(1R)-1-(3-pent-4-enoxyphenyl)ethanamine
CID 78967500
1-(3-but-2-ynoxyphenyl)ethanamine
CID 62310517
(1S)-1-(3-but-2-enoxyphenyl)ethanol
CID 78934397
2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-amine
CID 123363290

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine?
The IUPAC name of 1-[3-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine (CID 60880709) is 1-[3-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[3-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine?
The canonical SMILES for 1-[3-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine is CC(N)c1cccc(OC/C=C/Cl)c1.
What is the InChIKey of 1-[3-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine?
The InChIKey is UYBBCUSINZHRAU-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-9(13)10-4-2-5-11(8-10)14-7-3-6-12/h2-6,8-9H,7,13H2,1H3/b6-3+.
What are the key properties of 1-[3-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine?
1-[3-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine has a molecular weight of 211.69 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine is sourced from PubChem (CID 60880709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).