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

C17H18ClNO2 — CID 104946462

IUPAC(4S)-2-(2-chloro-6-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cccc(Cl)c1C1C[C@H](N)c2cc(C)ccc2O1
InChIInChI=1S/C17H18ClNO2/c1-10-6-7-14-11(8-10)13(19)9-16(21-14)17-12(18)4-3-5-15(17)20-2/h3-8,13,16H,9,19H2,1-2H3/t13-,16?/m0/s1
InChIKeyZMXXBLGQFNBSAX-KNVGNIICSA-N
MW303.79 g/mol
LogP4.18
Rot. Bonds2

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

(4S)-2-(2-chloro-6-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946462) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is (4S)-2-(2-chloro-6-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-(2-chloro-6-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946462
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name(4S)-2-(2-chloro-6-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cccc(Cl)c1C1C[C@H](N)c2cc(C)ccc2O1
InChIInChI=1S/C17H18ClNO2/c1-10-6-7-14-11(8-10)13(19)9-16(21-14)17-12(18)4-3-5-15(17)20-2/h3-8,13,16H,9,19H2,1-2H3/t13-,16?/m0/s1
InChIKeyZMXXBLGQFNBSAX-KNVGNIICSA-N
XLogP4.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2-chloro-6-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-(2-chloro-6-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine (CID 104946462) is (4S)-2-(2-chloro-6-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-(2-chloro-6-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-(2-chloro-6-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine is COc1cccc(Cl)c1C1C[C@H](N)c2cc(C)ccc2O1.
What is the InChIKey of (4S)-2-(2-chloro-6-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZMXXBLGQFNBSAX-KNVGNIICSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-10-6-7-14-11(8-10)13(19)9-16(21-14)17-12(18)4-3-5-15(17)20-2/h3-8,13,16H,9,19H2,1-2H3/t13-,16?/m0/s1.
What are the key properties of (4S)-2-(2-chloro-6-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-(2-chloro-6-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 303.79 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2-chloro-6-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).