4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol

C14H19Cl2NO2 — CID 66089429

IUPAC4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNC1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C14H19Cl2NO2/c1-9(2-4-18)8-17-13-3-5-19-14-11(13)6-10(15)7-12(14)16/h6-7,9,13,17-18H,2-5,8H2,1H3
InChIKeyKLHZVONVPRFCEC-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.43
Rot. Bonds5

About 4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol

4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol (PubChem CID 66089429) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol
PubChem CID66089429
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNC1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C14H19Cl2NO2/c1-9(2-4-18)8-17-13-3-5-19-14-11(13)6-10(15)7-12(14)16/h6-7,9,13,17-18H,2-5,8H2,1H3
InChIKeyKLHZVONVPRFCEC-UHFFFAOYSA-N
XLogP3.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol
CID 103788042
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 115920158
N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 60888947
6,8-dichloro-N-(6-methylheptan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43769266
3-[[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 107270591
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-ethylpropane-1,3-diol
CID 103935764
6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63456363
6,8-dichloro-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43758423
6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769607
4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]butanoic acid
CID 60782781
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide
CID 43778180
6,8-dichloro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769334

Frequently Asked Questions

What is the IUPAC name of 4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of 4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol (CID 66089429) is 4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol is CC(CCO)CNC1CCOc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol?
The InChIKey is KLHZVONVPRFCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-9(2-4-18)8-17-13-3-5-19-14-11(13)6-10(15)7-12(14)16/h6-7,9,13,17-18H,2-5,8H2,1H3.
What are the key properties of 4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol?
4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol has a molecular weight of 304.22 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 66089429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).