(1R)-3-(4-bromoanilino)-1-phenylpropan-1-ol

C15H16BrNO — CID 94318644

IUPAC(1R)-3-(4-bromoanilino)-1-phenylpropan-1-ol
SMILESO[C@H](CCNc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H16BrNO/c16-13-6-8-14(9-7-13)17-11-10-15(18)12-4-2-1-3-5-12/h1-9,15,17-18H,10-11H2/t15-/m1/s1
InChIKeyMHSODIVMFITJFC-OAHLLOKOSA-N
MW306.20 g/mol
LogP3.98
Rot. Bonds5

About (1R)-3-(4-bromoanilino)-1-phenylpropan-1-ol

(1R)-3-(4-bromoanilino)-1-phenylpropan-1-ol (PubChem CID 94318644) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is (1R)-3-(4-bromoanilino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-3-(4-bromoanilino)-1-phenylpropan-1-ol
PubChem CID94318644
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name(1R)-3-(4-bromoanilino)-1-phenylpropan-1-ol
SMILESO[C@H](CCNc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H16BrNO/c16-13-6-8-14(9-7-13)17-11-10-15(18)12-4-2-1-3-5-12/h1-9,15,17-18H,10-11H2/t15-/m1/s1
InChIKeyMHSODIVMFITJFC-OAHLLOKOSA-N
XLogP3.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-(4-bromoanilino)-1-phenylpropan-1-ol?
The IUPAC name of (1R)-3-(4-bromoanilino)-1-phenylpropan-1-ol (CID 94318644) is (1R)-3-(4-bromoanilino)-1-phenylpropan-1-ol.
What is the SMILES notation for (1R)-3-(4-bromoanilino)-1-phenylpropan-1-ol?
The canonical SMILES for (1R)-3-(4-bromoanilino)-1-phenylpropan-1-ol is O[C@H](CCNc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of (1R)-3-(4-bromoanilino)-1-phenylpropan-1-ol?
The InChIKey is MHSODIVMFITJFC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16BrNO/c16-13-6-8-14(9-7-13)17-11-10-15(18)12-4-2-1-3-5-12/h1-9,15,17-18H,10-11H2/t15-/m1/s1.
What are the key properties of (1R)-3-(4-bromoanilino)-1-phenylpropan-1-ol?
(1R)-3-(4-bromoanilino)-1-phenylpropan-1-ol has a molecular weight of 306.20 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(4-bromoanilino)-1-phenylpropan-1-ol is sourced from PubChem (CID 94318644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).