(2R)-4-(4-chlorophenyl)but-3-yn-2-amine

C10H10ClN — CID 58952384

IUPAC(2R)-4-(4-chlorophenyl)but-3-yn-2-amine
SMILESC[C@@H](N)C#Cc1ccc(Cl)cc1
InChIInChI=1S/C10H10ClN/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-8H,12H2,1H3/t8-/m1/s1
InChIKeyCAYPHUKXQSWEIX-MRVPVSSYSA-N
MW179.65 g/mol
LogP2.04
Rot. Bonds

About (2R)-4-(4-chlorophenyl)but-3-yn-2-amine

(2R)-4-(4-chlorophenyl)but-3-yn-2-amine (PubChem CID 58952384) has the molecular formula C10H10ClN and a molecular weight of 179.65 g/mol. Its IUPAC name is (2R)-4-(4-chlorophenyl)but-3-yn-2-amine.

Molecular Properties

Compound Name(2R)-4-(4-chlorophenyl)but-3-yn-2-amine
PubChem CID58952384
Molecular FormulaC10H10ClN
Molecular Weight179.65 g/mol
Exact Mass179.05
IUPAC Name(2R)-4-(4-chlorophenyl)but-3-yn-2-amine
SMILESC[C@@H](N)C#Cc1ccc(Cl)cc1
InChIInChI=1S/C10H10ClN/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-8H,12H2,1H3/t8-/m1/s1
InChIKeyCAYPHUKXQSWEIX-MRVPVSSYSA-N
XLogP2.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-chlorophenyl)but-3-yn-2-amine?
The IUPAC name of (2R)-4-(4-chlorophenyl)but-3-yn-2-amine (CID 58952384) is (2R)-4-(4-chlorophenyl)but-3-yn-2-amine.
What is the SMILES notation for (2R)-4-(4-chlorophenyl)but-3-yn-2-amine?
The canonical SMILES for (2R)-4-(4-chlorophenyl)but-3-yn-2-amine is C[C@@H](N)C#Cc1ccc(Cl)cc1.
What is the InChIKey of (2R)-4-(4-chlorophenyl)but-3-yn-2-amine?
The InChIKey is CAYPHUKXQSWEIX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10ClN/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-8H,12H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-4-(4-chlorophenyl)but-3-yn-2-amine?
(2R)-4-(4-chlorophenyl)but-3-yn-2-amine has a molecular weight of 179.65 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-chlorophenyl)but-3-yn-2-amine is sourced from PubChem (CID 58952384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).