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

C9H10ClNO — CID 141093967

IUPAC(2R,4R)-2-chloro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1C[C@@H](Cl)Oc2ccccc21
InChIInChI=1S/C9H10ClNO/c10-9-5-7(11)6-3-1-2-4-8(6)12-9/h1-4,7,9H,5,11H2/t7-,9+/m1/s1
InChIKeyFAMADPIAHUOEJJ-APPZFPTMSA-N
MW183.64 g/mol
LogP2.03
Rot. Bonds

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

(2R,4R)-2-chloro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 141093967) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is (2R,4R)-2-chloro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(2R,4R)-2-chloro-3,4-dihydro-2H-chromen-4-amine
PubChem CID141093967
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name(2R,4R)-2-chloro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1C[C@@H](Cl)Oc2ccccc21
InChIInChI=1S/C9H10ClNO/c10-9-5-7(11)6-3-1-2-4-8(6)12-9/h1-4,7,9H,5,11H2/t7-,9+/m1/s1
InChIKeyFAMADPIAHUOEJJ-APPZFPTMSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 122360387
(4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946116
(4S)-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945971
(4R)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 104946122
2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 114709441
(4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 104945921
(4R)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 104946162
(4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946217
2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 114709531
(4R)-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946152
(4R)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 104946079
ethyl 2-chloro-3,4-dihydro-2H-chromene-4-carboxylate
CID 141272617

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-chloro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (2R,4R)-2-chloro-3,4-dihydro-2H-chromen-4-amine (CID 141093967) is (2R,4R)-2-chloro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (2R,4R)-2-chloro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (2R,4R)-2-chloro-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1C[C@@H](Cl)Oc2ccccc21.
What is the InChIKey of (2R,4R)-2-chloro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is FAMADPIAHUOEJJ-APPZFPTMSA-N. The full InChI is InChI=1S/C9H10ClNO/c10-9-5-7(11)6-3-1-2-4-8(6)12-9/h1-4,7,9H,5,11H2/t7-,9+/m1/s1.
What are the key properties of (2R,4R)-2-chloro-3,4-dihydro-2H-chromen-4-amine?
(2R,4R)-2-chloro-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 183.64 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-chloro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 141093967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).