(4R)-6-chloro-3,4-dihydro-2H-chromen-4-amine

C9H10ClNO — CID 42220764

IUPAC(4R)-6-chloro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CCOc2ccc(Cl)cc21
InChIInChI=1S/C9H10ClNO/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2/t8-/m1/s1
InChIKeyDLMNYSHJWHCTOD-MRVPVSSYSA-N
MW183.64 g/mol
LogP2.12
Rot. Bonds

About (4R)-6-chloro-3,4-dihydro-2H-chromen-4-amine

(4R)-6-chloro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 42220764) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is (4R)-6-chloro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-6-chloro-3,4-dihydro-2H-chromen-4-amine
PubChem CID42220764
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name(4R)-6-chloro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CCOc2ccc(Cl)cc21
InChIInChI=1S/C9H10ClNO/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2/t8-/m1/s1
InChIKeyDLMNYSHJWHCTOD-MRVPVSSYSA-N
XLogP2.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-(4-chlorophenoxy)phenyl)-N-methylmethanamine
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Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-6-chloro-3,4-dihydro-2H-chromen-4-amine (CID 42220764) is (4R)-6-chloro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-6-chloro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-6-chloro-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CCOc2ccc(Cl)cc21.
What is the InChIKey of (4R)-6-chloro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DLMNYSHJWHCTOD-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10ClNO/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2/t8-/m1/s1.
What are the key properties of (4R)-6-chloro-3,4-dihydro-2H-chromen-4-amine?
(4R)-6-chloro-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 183.64 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 42220764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).