(E)-3-chloro-N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine

C9H12ClNO — CID 104578507

IUPAC(E)-3-chloro-N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine
SMILESCC(NC/C=C/Cl)c1ccco1
InChIInChI=1S/C9H12ClNO/c1-8(11-6-3-5-10)9-4-2-7-12-9/h2-5,7-8,11H,6H2,1H3/b5-3+
InChIKeyJEBXJGNMVVASQM-HWKANZROSA-N
MW185.65 g/mol
LogP2.68
Rot. Bonds4

About (E)-3-chloro-N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine

(E)-3-chloro-N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine (PubChem CID 104578507) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is (E)-3-chloro-N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-chloro-N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine
PubChem CID104578507
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name(E)-3-chloro-N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine
SMILESCC(NC/C=C/Cl)c1ccco1
InChIInChI=1S/C9H12ClNO/c1-8(11-6-3-5-10)9-4-2-7-12-9/h2-5,7-8,11H,6H2,1H3/b5-3+
InChIKeyJEBXJGNMVVASQM-HWKANZROSA-N
XLogP2.68
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine
CID 43177064
(E)-4-[1-(furan-2-yl)ethylamino]but-2-enoic acid
CID 103238492
(Z)-2-ethyl-4-[[(1R)-1-(furan-2-yl)ethyl]amino]but-2-enoic acid
CID 103260109
(E)-3-chloro-N-[1-(4-methylphenyl)ethyl]prop-2-en-1-amine
CID 103912955
1-[1-(furan-2-yl)ethylamino]-2-methylpropan-2-ol
CID 60885068
1-(furan-2-yl)-N'-[1-(furan-2-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202373
N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
CID 60889681
(E)-3-chloro-N-[1-(4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 103912541
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
methyl (Z)-2-ethyl-4-[[(1R)-1-(furan-2-yl)ethyl]amino]but-2-enoate
CID 103260102
(1R)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 81403604
1-(furan-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758862

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-chloro-N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine (CID 104578507) is (E)-3-chloro-N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-chloro-N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-chloro-N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine is CC(NC/C=C/Cl)c1ccco1.
What is the InChIKey of (E)-3-chloro-N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine?
The InChIKey is JEBXJGNMVVASQM-HWKANZROSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-8(11-6-3-5-10)9-4-2-7-12-9/h2-5,7-8,11H,6H2,1H3/b5-3+.
What are the key properties of (E)-3-chloro-N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine?
(E)-3-chloro-N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine has a molecular weight of 185.65 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 104578507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).