7,8-dichloro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine

C11H13Cl2NO — CID 43537588

IUPAC7,8-dichloro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1c2ccc(Cl)c(Cl)c2OCC1C
InChIInChI=1S/C11H13Cl2NO/c1-6-5-15-11-7(10(6)14-2)3-4-8(12)9(11)13/h3-4,6,10,14H,5H2,1-2H3
InChIKeyMPKKCMRGWTWUTD-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.28
Rot. Bonds1

About 7,8-dichloro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine

7,8-dichloro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43537588) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 7,8-dichloro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7,8-dichloro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID43537588
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name7,8-dichloro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1c2ccc(Cl)c(Cl)c2OCC1C
InChIInChI=1S/C11H13Cl2NO/c1-6-5-15-11-7(10(6)14-2)3-4-8(12)9(11)13/h3-4,6,10,14H,5H2,1-2H3
InChIKeyMPKKCMRGWTWUTD-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-N,3,5-trimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43537828
7,8-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82234776
5-chloro-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 114488512
6,7-dichloro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 81481927
5-chloro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 112716447
7-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran;ethane
CID 143804356
N-ethyl-7,8-difluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 82236018
N-[(5R)-8,9-dichloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetamide
CID 95271671
8,9-dichloro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine;hydrochloride
CID 155821717
4,5-dichloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 61382890
6,7-dichloro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049608
N-(2-bromo-3-chlorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 103478175

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7,8-dichloro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine (CID 43537588) is 7,8-dichloro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7,8-dichloro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7,8-dichloro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine is CNC1c2ccc(Cl)c(Cl)c2OCC1C.
What is the InChIKey of 7,8-dichloro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MPKKCMRGWTWUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-6-5-15-11-7(10(6)14-2)3-4-8(12)9(11)13/h3-4,6,10,14H,5H2,1-2H3.
What are the key properties of 7,8-dichloro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine?
7,8-dichloro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 246.14 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43537588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).