6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine

C18H20ClNO — CID 114711207

IUPAC6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2c(C)cccc2C)Oc2ccc(Cl)cc21
InChIInChI=1S/C18H20ClNO/c1-11-5-4-6-12(2)18(11)17-10-15(20-3)14-9-13(19)7-8-16(14)21-17/h4-9,15,17,20H,10H2,1-3H3
InChIKeyQERVOSFZVWYUOG-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.74
Rot. Bonds2

About 6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine

6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114711207) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114711207
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2c(C)cccc2C)Oc2ccc(Cl)cc21
InChIInChI=1S/C18H20ClNO/c1-11-5-4-6-12(2)18(11)17-10-15(20-3)14-9-13(19)7-8-16(14)21-17/h4-9,15,17,20H,10H2,1-3H3
InChIKeyQERVOSFZVWYUOG-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-6-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712531
2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712476
6-chloro-N-methyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114711145
2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711144
6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711272
7-bromo-2-(2-bromo-4-chlorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711700
2-(3-bromothiophen-2-yl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711217
2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114868444
6-chloro-2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711117
N,6-dimethyl-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114712466
2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712565
6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714567

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114711207) is 6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2c(C)cccc2C)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is QERVOSFZVWYUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-11-5-4-6-12(2)18(11)17-10-15(20-3)14-9-13(19)7-8-16(14)21-17/h4-9,15,17,20H,10H2,1-3H3.
What are the key properties of 6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 301.82 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 6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114711207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).