5,8-dichloro-2-methyl-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine

C13H17Cl2NO — CID 43537148

IUPAC5,8-dichloro-2-methyl-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)NC1CC(C)Oc2c(Cl)ccc(Cl)c21
InChIInChI=1S/C13H17Cl2NO/c1-7(2)16-11-6-8(3)17-13-10(15)5-4-9(14)12(11)13/h4-5,7-8,11,16H,6H2,1-3H3
InChIKeyAGBXOVRIVLOXMD-UHFFFAOYSA-N
MW274.19 g/mol
LogP4.20
Rot. Bonds2

About 5,8-dichloro-2-methyl-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine

5,8-dichloro-2-methyl-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43537148) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 5,8-dichloro-2-methyl-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name5,8-dichloro-2-methyl-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID43537148
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name5,8-dichloro-2-methyl-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)NC1CC(C)Oc2c(Cl)ccc(Cl)c21
InChIInChI=1S/C13H17Cl2NO/c1-7(2)16-11-6-8(3)17-13-10(15)5-4-9(14)12(11)13/h4-5,7-8,11,16H,6H2,1-3H3
InChIKeyAGBXOVRIVLOXMD-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,8-dichloro-2-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43537153
5,6,8-trichloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43537014
2-methyl-N-propan-2-yl-8-propoxy-3,4-dihydro-2H-chromen-4-amine
CID 43537264
5,8-dichloro-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 61287710
5,8-dichloro-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539267
8-bromo-6-chloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43537253
5-bromo-4,7-dichloro-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 107659790
2,5-dimethyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 43537284
5,8-dichloro-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 64698506
6,8-dichloro-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43621794
8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 75355763
(2S)-8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94975646

Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-2-methyl-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 5,8-dichloro-2-methyl-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (CID 43537148) is 5,8-dichloro-2-methyl-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 5,8-dichloro-2-methyl-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 5,8-dichloro-2-methyl-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is CC(C)NC1CC(C)Oc2c(Cl)ccc(Cl)c21.
What is the InChIKey of 5,8-dichloro-2-methyl-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is AGBXOVRIVLOXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-7(2)16-11-6-8(3)17-13-10(15)5-4-9(14)12(11)13/h4-5,7-8,11,16H,6H2,1-3H3.
What are the key properties of 5,8-dichloro-2-methyl-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
5,8-dichloro-2-methyl-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 274.19 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-2-methyl-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43537148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).