[6-bromo-2-(3-bromoanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol

C17H17Br2NO — CID 63632410

IUPAC[6-bromo-2-(3-bromoanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
SMILESOCC1(Nc2cccc(Br)c2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H17Br2NO/c18-14-2-1-3-16(9-14)20-17(11-21)7-6-12-8-15(19)5-4-13(12)10-17/h1-5,8-9,20-21H,6-7,10-11H2
InChIKeyCGSVADPCYIMVKV-UHFFFAOYSA-N
MW411.14 g/mol
LogP4.54
Rot. Bonds3

About [6-bromo-2-(3-bromoanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol

[6-bromo-2-(3-bromoanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol (PubChem CID 63632410) has the molecular formula C17H17Br2NO and a molecular weight of 411.14 g/mol. Its IUPAC name is [6-bromo-2-(3-bromoanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol.

Molecular Properties

Compound Name[6-bromo-2-(3-bromoanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
PubChem CID63632410
Molecular FormulaC17H17Br2NO
Molecular Weight411.14 g/mol
Exact Mass408.97
IUPAC Name[6-bromo-2-(3-bromoanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
SMILESOCC1(Nc2cccc(Br)c2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H17Br2NO/c18-14-2-1-3-16(9-14)20-17(11-21)7-6-12-8-15(19)5-4-13(12)10-17/h1-5,8-9,20-21H,6-7,10-11H2
InChIKeyCGSVADPCYIMVKV-UHFFFAOYSA-N
XLogP4.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.14
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-bromo-2-(3-bromoanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol?
The IUPAC name of [6-bromo-2-(3-bromoanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol (CID 63632410) is [6-bromo-2-(3-bromoanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol.
What is the SMILES notation for [6-bromo-2-(3-bromoanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol?
The canonical SMILES for [6-bromo-2-(3-bromoanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol is OCC1(Nc2cccc(Br)c2)CCc2cc(Br)ccc2C1.
What is the InChIKey of [6-bromo-2-(3-bromoanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol?
The InChIKey is CGSVADPCYIMVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2NO/c18-14-2-1-3-16(9-14)20-17(11-21)7-6-12-8-15(19)5-4-13(12)10-17/h1-5,8-9,20-21H,6-7,10-11H2.
What are the key properties of [6-bromo-2-(3-bromoanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol?
[6-bromo-2-(3-bromoanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol has a molecular weight of 411.14 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-2-(3-bromoanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol is sourced from PubChem (CID 63632410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).