2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine

C17H18ClNO2 — CID 114712980

IUPAC2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccccc2Cl)Oc2ccc(OC)cc21
InChIInChI=1S/C17H18ClNO2/c1-19-15-10-17(12-5-3-4-6-14(12)18)21-16-8-7-11(20-2)9-13(15)16/h3-9,15,17,19H,10H2,1-2H3
InChIKeyHBBGFHFTMXSWDA-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.13
Rot. Bonds3

About 2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine

2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712980) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712980
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccccc2Cl)Oc2ccc(OC)cc21
InChIInChI=1S/C17H18ClNO2/c1-19-15-10-17(12-5-3-4-6-14(12)18)21-16-8-7-11(20-2)9-13(15)16/h3-9,15,17,19H,10H2,1-2H3
InChIKeyHBBGFHFTMXSWDA-UHFFFAOYSA-N
XLogP4.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846153
2-(2-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712012
6-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114712931
2-cyclopropyl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712990
N-ethyl-6-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114713010
6-methoxy-N-methyl-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114712917
2-(2-bromophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712518
2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712565
(4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946910
(4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950789
6-methoxy-N-methyl-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 103090686
2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710554

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114712980) is 2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2ccccc2Cl)Oc2ccc(OC)cc21.
What is the InChIKey of 2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is HBBGFHFTMXSWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-19-15-10-17(12-5-3-4-6-14(12)18)21-16-8-7-11(20-2)9-13(15)16/h3-9,15,17,19H,10H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine?
2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 303.79 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).