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

C18H18ClNO — CID 104945331

IUPAC(4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(c2ccc(C3CC3)cc2)Oc2ccc(Cl)cc21
InChIInChI=1S/C18H18ClNO/c19-14-7-8-17-15(9-14)16(20)10-18(21-17)13-5-3-12(4-6-13)11-1-2-11/h3-9,11,16,18H,1-2,10,20H2/t16-,18?/m0/s1
InChIKeyAGGORGLMIQUTHJ-ATNAJCNCSA-N
MW299.80 g/mol
LogP4.74
Rot. Bonds2

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

(4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104945331) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is (4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104945331
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name(4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(c2ccc(C3CC3)cc2)Oc2ccc(Cl)cc21
InChIInChI=1S/C18H18ClNO/c19-14-7-8-17-15(9-14)16(20)10-18(21-17)13-5-3-12(4-6-13)11-1-2-11/h3-9,11,16,18H,1-2,10,20H2/t16-,18?/m0/s1
InChIKeyAGGORGLMIQUTHJ-ATNAJCNCSA-N
XLogP4.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 104945331) is (4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine is N[C@H]1CC(c2ccc(C3CC3)cc2)Oc2ccc(Cl)cc21.
What is the InChIKey of (4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is AGGORGLMIQUTHJ-ATNAJCNCSA-N. The full InChI is InChI=1S/C18H18ClNO/c19-14-7-8-17-15(9-14)16(20)10-18(21-17)13-5-3-12(4-6-13)11-1-2-11/h3-9,11,16,18H,1-2,10,20H2/t16-,18?/m0/s1.
What are the key properties of (4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine?
(4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 299.80 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104945331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).