(3S)-6-(2,6-dimethylphenyl)-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine

C19H23NO — CID 11173572

IUPAC(3S)-6-(2,6-dimethylphenyl)-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine
SMILESCc1cccc(C)c1-c1ccc2c(c1)C[C@H](N(C)C)CO2
InChIInChI=1S/C19H23NO/c1-13-6-5-7-14(2)19(13)15-8-9-18-16(10-15)11-17(12-21-18)20(3)4/h5-10,17H,11-12H2,1-4H3/t17-/m0/s1
InChIKeyKAYUUHCTJPOMGU-KRWDZBQOSA-N
MW281.40 g/mol
LogP3.84
Rot. Bonds2

About (3S)-6-(2,6-dimethylphenyl)-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine

(3S)-6-(2,6-dimethylphenyl)-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine (PubChem CID 11173572) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (3S)-6-(2,6-dimethylphenyl)-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3S)-6-(2,6-dimethylphenyl)-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine
PubChem CID11173572
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(3S)-6-(2,6-dimethylphenyl)-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine
SMILESCc1cccc(C)c1-c1ccc2c(c1)C[C@H](N(C)C)CO2
InChIInChI=1S/C19H23NO/c1-13-6-5-7-14(2)19(13)15-8-9-18-16(10-15)11-17(12-21-18)20(3)4/h5-10,17H,11-12H2,1-4H3/t17-/m0/s1
InChIKeyKAYUUHCTJPOMGU-KRWDZBQOSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-(2,6-dimethylphenyl)-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3S)-6-(2,6-dimethylphenyl)-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine (CID 11173572) is (3S)-6-(2,6-dimethylphenyl)-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3S)-6-(2,6-dimethylphenyl)-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3S)-6-(2,6-dimethylphenyl)-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine is Cc1cccc(C)c1-c1ccc2c(c1)C[C@H](N(C)C)CO2.
What is the InChIKey of (3S)-6-(2,6-dimethylphenyl)-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is KAYUUHCTJPOMGU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-6-5-7-14(2)19(13)15-8-9-18-16(10-15)11-17(12-21-18)20(3)4/h5-10,17H,11-12H2,1-4H3/t17-/m0/s1.
What are the key properties of (3S)-6-(2,6-dimethylphenyl)-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine?
(3S)-6-(2,6-dimethylphenyl)-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 281.40 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-(2,6-dimethylphenyl)-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 11173572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).