1-(3-bromophenyl)-2-(propan-2-ylamino)ethanol

C11H16BrNO — CID 60903220

IUPAC1-(3-bromophenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1cccc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-8(2)13-7-11(14)9-4-3-5-10(12)6-9/h3-6,8,11,13-14H,7H2,1-2H3
InChIKeyIGZMHVKSWKYTBR-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.48
Rot. Bonds4

About 1-(3-bromophenyl)-2-(propan-2-ylamino)ethanol

1-(3-bromophenyl)-2-(propan-2-ylamino)ethanol (PubChem CID 60903220) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(propan-2-ylamino)ethanol
PubChem CID60903220
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name1-(3-bromophenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1cccc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-8(2)13-7-11(14)9-4-3-5-10(12)6-9/h3-6,8,11,13-14H,7H2,1-2H3
InChIKeyIGZMHVKSWKYTBR-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-(propan-2-ylamino)ethanol (CID 60903220) is 1-(3-bromophenyl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-(propan-2-ylamino)ethanol is CC(C)NCC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(propan-2-ylamino)ethanol?
The InChIKey is IGZMHVKSWKYTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-8(2)13-7-11(14)9-4-3-5-10(12)6-9/h3-6,8,11,13-14H,7H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-(propan-2-ylamino)ethanol?
1-(3-bromophenyl)-2-(propan-2-ylamino)ethanol has a molecular weight of 258.16 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 60903220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).