6-chloro-N-methyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine

C15H15ClN2O — CID 114711145

IUPAC6-chloro-N-methyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2cccnc2)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H15ClN2O/c1-17-13-8-15(10-3-2-6-18-9-10)19-14-5-4-11(16)7-12(13)14/h2-7,9,13,15,17H,8H2,1H3
InChIKeyMUPSOTUSWHLCNM-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.52
Rot. Bonds2

About 6-chloro-N-methyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine

6-chloro-N-methyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114711145) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 6-chloro-N-methyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114711145
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name6-chloro-N-methyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2cccnc2)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H15ClN2O/c1-17-13-8-15(10-3-2-6-18-9-10)19-14-5-4-11(16)7-12(13)14/h2-7,9,13,15,17H,8H2,1H3
InChIKeyMUPSOTUSWHLCNM-UHFFFAOYSA-N
XLogP3.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711272
6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711207
N-ethyl-6-fluoro-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114710640
6-chloro-2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711117
2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711144
N,6-dimethyl-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114712466
2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712476
6-fluoro-N-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114710538
2-(3-bromothiophen-2-yl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711217
2-(3,4-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712078
7-bromo-2-(2-bromo-4-chlorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711700
2-(4-chloro-3-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712639

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-chloro-N-methyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine (CID 114711145) is 6-chloro-N-methyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-chloro-N-methyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2cccnc2)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N-methyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MUPSOTUSWHLCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-17-13-8-15(10-3-2-6-18-9-10)19-14-5-4-11(16)7-12(13)14/h2-7,9,13,15,17H,8H2,1H3.
What are the key properties of 6-chloro-N-methyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine?
6-chloro-N-methyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 274.75 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114711145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).