(4R)-N-(3-chlorophenyl)-N,4-dimethyl-3,4-dihydro-2H-chromen-7-amine

C17H18ClNO — CID 118612610

IUPAC(4R)-N-(3-chlorophenyl)-N,4-dimethyl-3,4-dihydro-2H-chromen-7-amine
SMILESC[C@@H]1CCOc2cc(N(C)c3cccc(Cl)c3)ccc21
InChIInChI=1S/C17H18ClNO/c1-12-8-9-20-17-11-15(6-7-16(12)17)19(2)14-5-3-4-13(18)10-14/h3-7,10-12H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyDOYFOHVRXIHGDM-GFCCVEGCSA-N
MW287.79 g/mol
LogP4.99
Rot. Bonds2

About (4R)-N-(3-chlorophenyl)-N,4-dimethyl-3,4-dihydro-2H-chromen-7-amine

(4R)-N-(3-chlorophenyl)-N,4-dimethyl-3,4-dihydro-2H-chromen-7-amine (PubChem CID 118612610) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is (4R)-N-(3-chlorophenyl)-N,4-dimethyl-3,4-dihydro-2H-chromen-7-amine.

Molecular Properties

Compound Name(4R)-N-(3-chlorophenyl)-N,4-dimethyl-3,4-dihydro-2H-chromen-7-amine
PubChem CID118612610
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name(4R)-N-(3-chlorophenyl)-N,4-dimethyl-3,4-dihydro-2H-chromen-7-amine
SMILESC[C@@H]1CCOc2cc(N(C)c3cccc(Cl)c3)ccc21
InChIInChI=1S/C17H18ClNO/c1-12-8-9-20-17-11-15(6-7-16(12)17)19(2)14-5-3-4-13(18)10-14/h3-7,10-12H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyDOYFOHVRXIHGDM-GFCCVEGCSA-N
XLogP4.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-(3-chlorophenyl)-N,4-dimethyl-3,4-dihydro-2H-chromen-7-amine?
The IUPAC name of (4R)-N-(3-chlorophenyl)-N,4-dimethyl-3,4-dihydro-2H-chromen-7-amine (CID 118612610) is (4R)-N-(3-chlorophenyl)-N,4-dimethyl-3,4-dihydro-2H-chromen-7-amine.
What is the SMILES notation for (4R)-N-(3-chlorophenyl)-N,4-dimethyl-3,4-dihydro-2H-chromen-7-amine?
The canonical SMILES for (4R)-N-(3-chlorophenyl)-N,4-dimethyl-3,4-dihydro-2H-chromen-7-amine is C[C@@H]1CCOc2cc(N(C)c3cccc(Cl)c3)ccc21.
What is the InChIKey of (4R)-N-(3-chlorophenyl)-N,4-dimethyl-3,4-dihydro-2H-chromen-7-amine?
The InChIKey is DOYFOHVRXIHGDM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-12-8-9-20-17-11-15(6-7-16(12)17)19(2)14-5-3-4-13(18)10-14/h3-7,10-12H,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (4R)-N-(3-chlorophenyl)-N,4-dimethyl-3,4-dihydro-2H-chromen-7-amine?
(4R)-N-(3-chlorophenyl)-N,4-dimethyl-3,4-dihydro-2H-chromen-7-amine has a molecular weight of 287.79 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(3-chlorophenyl)-N,4-dimethyl-3,4-dihydro-2H-chromen-7-amine is sourced from PubChem (CID 118612610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).