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

C17H18BrNO — CID 61048656

IUPAC[1-(4-bromoanilino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
SMILESOCC1(Nc2ccc(Br)cc2)CCCc2ccccc21
InChIInChI=1S/C17H18BrNO/c18-14-7-9-15(10-8-14)19-17(12-20)11-3-5-13-4-1-2-6-16(13)17/h1-2,4,6-10,19-20H,3,5,11-12H2
InChIKeyRFCYXYTYFUKYII-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.09
Rot. Bonds3

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

[1-(4-bromoanilino)-3,4-dihydro-2H-naphthalen-1-yl]methanol (PubChem CID 61048656) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is [1-(4-bromoanilino)-3,4-dihydro-2H-naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[1-(4-bromoanilino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
PubChem CID61048656
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name[1-(4-bromoanilino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
SMILESOCC1(Nc2ccc(Br)cc2)CCCc2ccccc21
InChIInChI=1S/C17H18BrNO/c18-14-7-9-15(10-8-14)19-17(12-20)11-3-5-13-4-1-2-6-16(13)17/h1-2,4,6-10,19-20H,3,5,11-12H2
InChIKeyRFCYXYTYFUKYII-UHFFFAOYSA-N
XLogP4.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromoanilino)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The IUPAC name of [1-(4-bromoanilino)-3,4-dihydro-2H-naphthalen-1-yl]methanol (CID 61048656) is [1-(4-bromoanilino)-3,4-dihydro-2H-naphthalen-1-yl]methanol.
What is the SMILES notation for [1-(4-bromoanilino)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The canonical SMILES for [1-(4-bromoanilino)-3,4-dihydro-2H-naphthalen-1-yl]methanol is OCC1(Nc2ccc(Br)cc2)CCCc2ccccc21.
What is the InChIKey of [1-(4-bromoanilino)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The InChIKey is RFCYXYTYFUKYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c18-14-7-9-15(10-8-14)19-17(12-20)11-3-5-13-4-1-2-6-16(13)17/h1-2,4,6-10,19-20H,3,5,11-12H2.
What are the key properties of [1-(4-bromoanilino)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
[1-(4-bromoanilino)-3,4-dihydro-2H-naphthalen-1-yl]methanol has a molecular weight of 332.24 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromoanilino)-3,4-dihydro-2H-naphthalen-1-yl]methanol is sourced from PubChem (CID 61048656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).