[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]cyclohexyl]methanol

C16H21Cl2NO2 — CID 103785053

IUPAC[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]cyclohexyl]methanol
SMILESOCC1CCCCC1NC1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C16H21Cl2NO2/c17-11-7-12-15(5-6-21-16(12)13(18)8-11)19-14-4-2-1-3-10(14)9-20/h7-8,10,14-15,19-20H,1-6,9H2
InChIKeyPLJNYEKRLGVKRY-UHFFFAOYSA-N
MW330.26 g/mol
LogP3.96
Rot. Bonds3

About [2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]cyclohexyl]methanol

[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]cyclohexyl]methanol (PubChem CID 103785053) has the molecular formula C16H21Cl2NO2 and a molecular weight of 330.26 g/mol. Its IUPAC name is [2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]cyclohexyl]methanol
PubChem CID103785053
Molecular FormulaC16H21Cl2NO2
Molecular Weight330.26 g/mol
Exact Mass329.09
IUPAC Name[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]cyclohexyl]methanol
SMILESOCC1CCCCC1NC1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C16H21Cl2NO2/c17-11-7-12-15(5-6-21-16(12)13(18)8-11)19-14-4-2-1-3-10(14)9-20/h7-8,10,14-15,19-20H,1-6,9H2
InChIKeyPLJNYEKRLGVKRY-UHFFFAOYSA-N
XLogP3.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]cyclohexyl]methanol with MolForge

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Related Compounds

6,8-dichloro-N-(3-ethyl-2-methylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine
CID 64921533
6,8-dichloro-N-(2-cyclopropyloxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 103905846
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-ethylpropane-1,3-diol
CID 103935764
6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 115728526
N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 60888947
[2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]cyclohexyl]methanol
CID 103785054
[2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclopentyl]methanol
CID 103786082
4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol
CID 66089429
3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol
CID 103788042
6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43758747
3-[[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 107270591
4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]butanoic acid
CID 60782781

Frequently Asked Questions

What is the IUPAC name of [2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]cyclohexyl]methanol?
The IUPAC name of [2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]cyclohexyl]methanol (CID 103785053) is [2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]cyclohexyl]methanol is OCC1CCCCC1NC1CCOc2c(Cl)cc(Cl)cc21.
What is the InChIKey of [2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]cyclohexyl]methanol?
The InChIKey is PLJNYEKRLGVKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO2/c17-11-7-12-15(5-6-21-16(12)13(18)8-11)19-14-4-2-1-3-10(14)9-20/h7-8,10,14-15,19-20H,1-6,9H2.
What are the key properties of [2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]cyclohexyl]methanol?
[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]cyclohexyl]methanol has a molecular weight of 330.26 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 103785053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).