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

C15H19Cl2NO2 — CID 111469648

IUPAC4-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNCC1=Cc2cc(Cl)cc(Cl)c2OC1
InChIInChI=1S/C15H19Cl2NO2/c1-10(2-3-19)7-18-8-11-4-12-5-13(16)6-14(17)15(12)20-9-11/h4-6,10,18-19H,2-3,7-9H2,1H3
InChIKeyFCDORLGQPUMQMR-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.38
Rot. Bonds6

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

4-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-3-methylbutan-1-ol (PubChem CID 111469648) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 4-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-3-methylbutan-1-ol
PubChem CID111469648
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name4-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNCC1=Cc2cc(Cl)cc(Cl)c2OC1
InChIInChI=1S/C15H19Cl2NO2/c1-10(2-3-19)7-18-8-11-4-12-5-13(16)6-14(17)15(12)20-9-11/h4-6,10,18-19H,2-3,7-9H2,1H3
InChIKeyFCDORLGQPUMQMR-UHFFFAOYSA-N
XLogP3.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122410
N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-(4-ethylpiperazin-1-yl)propan-1-amine
CID 119108028
N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 119108285
N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 119125033
(1S)-N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(furan-2-yl)ethanamine
CID 52503017
N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-3-morpholin-4-ylbutan-2-amine
CID 119123831
1-(6,8-dichloro-2H-chromen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 119108472
4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol
CID 66089429
4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089888
2-[[3-[(6,8-dichloro-2H-chromen-3-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042101
4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089910
N-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine
CID 115615997

Frequently Asked Questions

What is the IUPAC name of 4-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-3-methylbutan-1-ol?
The IUPAC name of 4-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-3-methylbutan-1-ol (CID 111469648) is 4-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-3-methylbutan-1-ol is CC(CCO)CNCC1=Cc2cc(Cl)cc(Cl)c2OC1.
What is the InChIKey of 4-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-3-methylbutan-1-ol?
The InChIKey is FCDORLGQPUMQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-10(2-3-19)7-18-8-11-4-12-5-13(16)6-14(17)15(12)20-9-11/h4-6,10,18-19H,2-3,7-9H2,1H3.
What are the key properties of 4-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-3-methylbutan-1-ol?
4-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-3-methylbutan-1-ol has a molecular weight of 316.23 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 111469648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).