6,8-dichloro-N-(6-methylheptan-2-yl)-3,4-dihydro-2H-chromen-4-amine

C17H25Cl2NO — CID 43769266

IUPAC6,8-dichloro-N-(6-methylheptan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)CCCC(C)NC1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C17H25Cl2NO/c1-11(2)5-4-6-12(3)20-16-7-8-21-17-14(16)9-13(18)10-15(17)19/h9-12,16,20H,4-8H2,1-3H3
InChIKeyHDNBUPVSBBPCBX-UHFFFAOYSA-N
MW330.30 g/mol
LogP5.62
Rot. Bonds6

About 6,8-dichloro-N-(6-methylheptan-2-yl)-3,4-dihydro-2H-chromen-4-amine

6,8-dichloro-N-(6-methylheptan-2-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43769266) has the molecular formula C17H25Cl2NO and a molecular weight of 330.30 g/mol. Its IUPAC name is 6,8-dichloro-N-(6-methylheptan-2-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6,8-dichloro-N-(6-methylheptan-2-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43769266
Molecular FormulaC17H25Cl2NO
Molecular Weight330.30 g/mol
Exact Mass329.13
IUPAC Name6,8-dichloro-N-(6-methylheptan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)CCCC(C)NC1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C17H25Cl2NO/c1-11(2)5-4-6-12(3)20-16-7-8-21-17-14(16)9-13(18)10-15(17)19/h9-12,16,20H,4-8H2,1-3H3
InChIKeyHDNBUPVSBBPCBX-UHFFFAOYSA-N
XLogP5.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.30
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-(6-methylheptan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6,8-dichloro-N-(6-methylheptan-2-yl)-3,4-dihydro-2H-chromen-4-amine (CID 43769266) is 6,8-dichloro-N-(6-methylheptan-2-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6,8-dichloro-N-(6-methylheptan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6,8-dichloro-N-(6-methylheptan-2-yl)-3,4-dihydro-2H-chromen-4-amine is CC(C)CCCC(C)NC1CCOc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 6,8-dichloro-N-(6-methylheptan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is HDNBUPVSBBPCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO/c1-11(2)5-4-6-12(3)20-16-7-8-21-17-14(16)9-13(18)10-15(17)19/h9-12,16,20H,4-8H2,1-3H3.
What are the key properties of 6,8-dichloro-N-(6-methylheptan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
6,8-dichloro-N-(6-methylheptan-2-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 330.30 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-(6-methylheptan-2-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43769266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).