5,6,8-trichloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine

C11H12Cl3NO — CID 43537014

IUPAC5,6,8-trichloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(C)Oc2c(Cl)cc(Cl)c(Cl)c21
InChIInChI=1S/C11H12Cl3NO/c1-5-3-8(15-2)9-10(14)6(12)4-7(13)11(9)16-5/h4-5,8,15H,3H2,1-2H3
InChIKeyIDHFADPNDBVWQB-UHFFFAOYSA-N
MW280.58 g/mol
LogP4.08
Rot. Bonds1

About 5,6,8-trichloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine

5,6,8-trichloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43537014) has the molecular formula C11H12Cl3NO and a molecular weight of 280.58 g/mol. Its IUPAC name is 5,6,8-trichloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name5,6,8-trichloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID43537014
Molecular FormulaC11H12Cl3NO
Molecular Weight280.58 g/mol
Exact Mass279.00
IUPAC Name5,6,8-trichloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(C)Oc2c(Cl)cc(Cl)c(Cl)c21
InChIInChI=1S/C11H12Cl3NO/c1-5-3-8(15-2)9-10(14)6(12)4-7(13)11(9)16-5/h4-5,8,15H,3H2,1-2H3
InChIKeyIDHFADPNDBVWQB-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.58
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

8-bromo-6-chloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43537253
4,5,7-trichloro-2-ethyl-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 64663434
5,8-dichloro-2-methyl-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 43537148
5,8-dichloro-2-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43537153
N,2,8-trimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43536914
4,5,7-trichloro-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83048923
5,8-dichloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539036
(4S)-5,6,8-trichloro-3,4-dihydro-2H-chromen-4-ol
CID 79014196
6-chloro-N,7-dimethyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine
CID 115417500
8-chloro-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 60970601
6-bromo-5,8-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 107659779
7-chloro-N,2,5-trimethyl-2,3-dihydro-1-benzofuran-3-amine
CID 62670583

Frequently Asked Questions

What is the IUPAC name of 5,6,8-trichloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 5,6,8-trichloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine (CID 43537014) is 5,6,8-trichloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 5,6,8-trichloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 5,6,8-trichloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(C)Oc2c(Cl)cc(Cl)c(Cl)c21.
What is the InChIKey of 5,6,8-trichloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is IDHFADPNDBVWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO/c1-5-3-8(15-2)9-10(14)6(12)4-7(13)11(9)16-5/h4-5,8,15H,3H2,1-2H3.
What are the key properties of 5,6,8-trichloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine?
5,6,8-trichloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 280.58 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,8-trichloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43537014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).