(2R)-2-(5-chloro-2-methoxyphenyl)but-3-en-2-amine

C11H14ClNO — CID 130684058

IUPAC(2R)-2-(5-chloro-2-methoxyphenyl)but-3-en-2-amine
SMILESC=C[C@@](C)(N)c1cc(Cl)ccc1OC
InChIInChI=1S/C11H14ClNO/c1-4-11(2,13)9-7-8(12)5-6-10(9)14-3/h4-7H,1,13H2,2-3H3/t11-/m1/s1
InChIKeyQPHLPYXHJHZQHU-LLVKDONJSA-N
MW211.69 g/mol
LogP2.71
Rot. Bonds3

About (2R)-2-(5-chloro-2-methoxyphenyl)but-3-en-2-amine

(2R)-2-(5-chloro-2-methoxyphenyl)but-3-en-2-amine (PubChem CID 130684058) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is (2R)-2-(5-chloro-2-methoxyphenyl)but-3-en-2-amine.

Molecular Properties

Compound Name(2R)-2-(5-chloro-2-methoxyphenyl)but-3-en-2-amine
PubChem CID130684058
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name(2R)-2-(5-chloro-2-methoxyphenyl)but-3-en-2-amine
SMILESC=C[C@@](C)(N)c1cc(Cl)ccc1OC
InChIInChI=1S/C11H14ClNO/c1-4-11(2,13)9-7-8(12)5-6-10(9)14-3/h4-7H,1,13H2,2-3H3/t11-/m1/s1
InChIKeyQPHLPYXHJHZQHU-LLVKDONJSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-(5-chloro-2-methoxyphenyl)but-3-en-2-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

2-(5-chloro-2-methoxyphenyl)propane-2-thiol
CID 116866548
1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine
CID 62790432
4-(5-chloro-2-methoxyphenyl)heptan-4-amine
CID 54886842
(2S)-2-(4-fluoro-2-methoxyphenyl)but-3-en-2-amine
CID 131037929
4-chloro-2-(2-isocyanatopropan-2-yl)-1-methoxybenzene
CID 82080893
1-(5-chloro-2-methoxyphenyl)-1-phenylpropan-1-amine
CID 62791102
2-(5-chloro-2-methoxyphenyl)-2-fluoropropan-1-ol
CID 105426373
2-(5-chloro-2-methoxyphenyl)-N,2-dimethylpropanehydrazide
CID 116845891
1-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenyl)propan-2-amine
CID 62620710
2-amino-2-(5-chloro-2-methoxyphenyl)-2-cyclopropylacetic acid
CID 3917542
1-(5-chloro-2-methoxyphenyl)-1-(4-methylphenyl)ethanol
CID 62787429
(1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine
CID 131139061

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-chloro-2-methoxyphenyl)but-3-en-2-amine?
The IUPAC name of (2R)-2-(5-chloro-2-methoxyphenyl)but-3-en-2-amine (CID 130684058) is (2R)-2-(5-chloro-2-methoxyphenyl)but-3-en-2-amine.
What is the SMILES notation for (2R)-2-(5-chloro-2-methoxyphenyl)but-3-en-2-amine?
The canonical SMILES for (2R)-2-(5-chloro-2-methoxyphenyl)but-3-en-2-amine is C=C[C@@](C)(N)c1cc(Cl)ccc1OC.
What is the InChIKey of (2R)-2-(5-chloro-2-methoxyphenyl)but-3-en-2-amine?
The InChIKey is QPHLPYXHJHZQHU-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-4-11(2,13)9-7-8(12)5-6-10(9)14-3/h4-7H,1,13H2,2-3H3/t11-/m1/s1.
What are the key properties of (2R)-2-(5-chloro-2-methoxyphenyl)but-3-en-2-amine?
(2R)-2-(5-chloro-2-methoxyphenyl)but-3-en-2-amine has a molecular weight of 211.69 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-chloro-2-methoxyphenyl)but-3-en-2-amine is sourced from PubChem (CID 130684058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).