(E)-4-chloro-N-[2-(furan-2-yl)ethyl]but-2-en-1-amine

C10H14ClNO — CID 81429403

IUPAC(E)-4-chloro-N-[2-(furan-2-yl)ethyl]but-2-en-1-amine
SMILESClC/C=C/CNCCc1ccco1
InChIInChI=1S/C10H14ClNO/c11-6-1-2-7-12-8-5-10-4-3-9-13-10/h1-4,9,12H,5-8H2/b2-1+
InChIKeyBBZDQZXRESKSDB-OWOJBTEDSA-N
MW199.68 g/mol
LogP2.21
Rot. Bonds6

About (E)-4-chloro-N-[2-(furan-2-yl)ethyl]but-2-en-1-amine

(E)-4-chloro-N-[2-(furan-2-yl)ethyl]but-2-en-1-amine (PubChem CID 81429403) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is (E)-4-chloro-N-[2-(furan-2-yl)ethyl]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-chloro-N-[2-(furan-2-yl)ethyl]but-2-en-1-amine
PubChem CID81429403
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name(E)-4-chloro-N-[2-(furan-2-yl)ethyl]but-2-en-1-amine
SMILESClC/C=C/CNCCc1ccco1
InChIInChI=1S/C10H14ClNO/c11-6-1-2-7-12-8-5-10-4-3-9-13-10/h1-4,9,12H,5-8H2/b2-1+
InChIKeyBBZDQZXRESKSDB-OWOJBTEDSA-N
XLogP2.21
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-4-chloro-N-[2-(furan-2-yl)ethyl]but-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-4-[2-(furan-2-yl)ethylamino]but-2-enoic acid
CID 103242149
N-[(E)-4-chlorobut-2-enyl]-3-(furan-2-yl)propanamide
CID 81430503
2-(3-chloropropyl)furan
CID 12549641
N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine
CID 60719415
2-[2-(furan-2-yl)ethylamino]ethanesulfonamide
CID 114384896
N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 43395380
(E)-4-chloro-N-(3-phenylpropyl)but-2-en-1-amine
CID 81429531
N-[3-(furan-2-yl)propyl]formamide
CID 87322197
(E)-4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]but-2-en-1-amine
CID 106399894
3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine
CID 60695393
1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine
CID 65266782
N-[(5-chlorofuran-2-yl)methyl]-2-(furan-2-yl)ethanamine
CID 60664542

Frequently Asked Questions

What is the IUPAC name of (E)-4-chloro-N-[2-(furan-2-yl)ethyl]but-2-en-1-amine?
The IUPAC name of (E)-4-chloro-N-[2-(furan-2-yl)ethyl]but-2-en-1-amine (CID 81429403) is (E)-4-chloro-N-[2-(furan-2-yl)ethyl]but-2-en-1-amine.
What is the SMILES notation for (E)-4-chloro-N-[2-(furan-2-yl)ethyl]but-2-en-1-amine?
The canonical SMILES for (E)-4-chloro-N-[2-(furan-2-yl)ethyl]but-2-en-1-amine is ClC/C=C/CNCCc1ccco1.
What is the InChIKey of (E)-4-chloro-N-[2-(furan-2-yl)ethyl]but-2-en-1-amine?
The InChIKey is BBZDQZXRESKSDB-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H14ClNO/c11-6-1-2-7-12-8-5-10-4-3-9-13-10/h1-4,9,12H,5-8H2/b2-1+.
What are the key properties of (E)-4-chloro-N-[2-(furan-2-yl)ethyl]but-2-en-1-amine?
(E)-4-chloro-N-[2-(furan-2-yl)ethyl]but-2-en-1-amine has a molecular weight of 199.68 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-chloro-N-[2-(furan-2-yl)ethyl]but-2-en-1-amine is sourced from PubChem (CID 81429403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).