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

C11H14ClNO — CID 104945006

IUPAC(4R)-6-chloro-2-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCC1C[C@@H](N)c2cc(Cl)ccc2O1
InChIInChI=1S/C11H14ClNO/c1-2-8-6-10(13)9-5-7(12)3-4-11(9)14-8/h3-5,8,10H,2,6,13H2,1H3/t8?,10-/m1/s1
InChIKeyXJYRXQAZVBNUKG-LHIURRSHSA-N
MW211.69 g/mol
LogP2.90
Rot. Bonds1

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

(4R)-6-chloro-2-ethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104945006) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is (4R)-6-chloro-2-ethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-6-chloro-2-ethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID104945006
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name(4R)-6-chloro-2-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCC1C[C@@H](N)c2cc(Cl)ccc2O1
InChIInChI=1S/C11H14ClNO/c1-2-8-6-10(13)9-5-7(12)3-4-11(9)14-8/h3-5,8,10H,2,6,13H2,1H3/t8?,10-/m1/s1
InChIKeyXJYRXQAZVBNUKG-LHIURRSHSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709040
(4S)-6-chloro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945167
(4S)-2-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 104945286
2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709859
(4R)-6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114201320
6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114201319
6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
CID 114709076
(4R)-6-chloro-2-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104980323
6-chloro-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709097
2-(4-bromo-3-methylphenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 114708916
(4R)-6-chloro-2-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944920
(4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945093

Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-2-ethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-6-chloro-2-ethyl-3,4-dihydro-2H-chromen-4-amine (CID 104945006) is (4R)-6-chloro-2-ethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-6-chloro-2-ethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-6-chloro-2-ethyl-3,4-dihydro-2H-chromen-4-amine is CCC1C[C@@H](N)c2cc(Cl)ccc2O1.
What is the InChIKey of (4R)-6-chloro-2-ethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is XJYRXQAZVBNUKG-LHIURRSHSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-2-8-6-10(13)9-5-7(12)3-4-11(9)14-8/h3-5,8,10H,2,6,13H2,1H3/t8?,10-/m1/s1.
What are the key properties of (4R)-6-chloro-2-ethyl-3,4-dihydro-2H-chromen-4-amine?
(4R)-6-chloro-2-ethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 211.69 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-2-ethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104945006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).