2-(3-bromophenyl)-1-(ethylamino)propan-2-ol

C11H16BrNO — CID 62773970

IUPAC2-(3-bromophenyl)-1-(ethylamino)propan-2-ol
SMILESCCNCC(C)(O)c1cccc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-3-13-8-11(2,14)9-5-4-6-10(12)7-9/h4-7,13-14H,3,8H2,1-2H3
InChIKeyLRXRTXDUQIDDRD-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.27
Rot. Bonds4

About 2-(3-bromophenyl)-1-(ethylamino)propan-2-ol

2-(3-bromophenyl)-1-(ethylamino)propan-2-ol (PubChem CID 62773970) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(ethylamino)propan-2-ol
PubChem CID62773970
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-(3-bromophenyl)-1-(ethylamino)propan-2-ol
SMILESCCNCC(C)(O)c1cccc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-3-13-8-11(2,14)9-5-4-6-10(12)7-9/h4-7,13-14H,3,8H2,1-2H3
InChIKeyLRXRTXDUQIDDRD-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(ethylamino)-2-(3-fluorophenyl)propan-2-ol
CID 62775143
2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol
CID 62773195
2-(3-bromophenyl)propan-2-ol;ethanol
CID 144557078
2-(3-bromophenyl)-1-methoxypropan-2-ol
CID 79566424
2-(3-bromophenyl)nonan-2-ol
CID 65144812
2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 82973789
3-(3-bromophenyl)pentan-3-ol
CID 57443482
ethyl 4-(3-bromophenyl)-4-hydroxypentanoate
CID 66324035
2-(2-bromophenyl)-1-(ethylamino)propan-2-ol
CID 62773972
2-(3-bromophenyl)hept-5-yn-2-ol
CID 104809276
1-amino-1-(3-bromophenyl)propan-1-ol
CID 141222959
2-(3-bromophenyl)-N,2-dimethylbutan-1-amine
CID 83655766

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(ethylamino)propan-2-ol?
The IUPAC name of 2-(3-bromophenyl)-1-(ethylamino)propan-2-ol (CID 62773970) is 2-(3-bromophenyl)-1-(ethylamino)propan-2-ol.
What is the SMILES notation for 2-(3-bromophenyl)-1-(ethylamino)propan-2-ol?
The canonical SMILES for 2-(3-bromophenyl)-1-(ethylamino)propan-2-ol is CCNCC(C)(O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(ethylamino)propan-2-ol?
The InChIKey is LRXRTXDUQIDDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-3-13-8-11(2,14)9-5-4-6-10(12)7-9/h4-7,13-14H,3,8H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-1-(ethylamino)propan-2-ol?
2-(3-bromophenyl)-1-(ethylamino)propan-2-ol has a molecular weight of 258.16 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(ethylamino)propan-2-ol is sourced from PubChem (CID 62773970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).