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

C18H20BrNO — CID 79123873

IUPAC[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(2-bromophenyl)methanol
SMILESNCC1(C(O)c2ccccc2Br)CCc2ccccc2C1
InChIInChI=1S/C18H20BrNO/c19-16-8-4-3-7-15(16)17(21)18(12-20)10-9-13-5-1-2-6-14(13)11-18/h1-8,17,21H,9-12,20H2
InChIKeyOVBUYZXIVDVTDU-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.62
Rot. Bonds3

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

[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(2-bromophenyl)methanol (PubChem CID 79123873) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(2-bromophenyl)methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(2-bromophenyl)methanol
PubChem CID79123873
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(2-bromophenyl)methanol
SMILESNCC1(C(O)c2ccccc2Br)CCc2ccccc2C1
InChIInChI=1S/C18H20BrNO/c19-16-8-4-3-7-15(16)17(21)18(12-20)10-9-13-5-1-2-6-14(13)11-18/h1-8,17,21H,9-12,20H2
InChIKeyOVBUYZXIVDVTDU-UHFFFAOYSA-N
XLogP3.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(2-bromophenyl)methanol?
The IUPAC name of [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(2-bromophenyl)methanol (CID 79123873) is [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(2-bromophenyl)methanol.
What is the SMILES notation for [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(2-bromophenyl)methanol?
The canonical SMILES for [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(2-bromophenyl)methanol is NCC1(C(O)c2ccccc2Br)CCc2ccccc2C1.
What is the InChIKey of [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(2-bromophenyl)methanol?
The InChIKey is OVBUYZXIVDVTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c19-16-8-4-3-7-15(16)17(21)18(12-20)10-9-13-5-1-2-6-14(13)11-18/h1-8,17,21H,9-12,20H2.
What are the key properties of [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(2-bromophenyl)methanol?
[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(2-bromophenyl)methanol has a molecular weight of 346.27 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(2-bromophenyl)methanol is sourced from PubChem (CID 79123873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).