4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]phenol

C15H16BrNO — CID 54275254

IUPAC4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]phenol
SMILESC[C@@H](NCc1ccc(O)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO/c1-11(13-4-6-14(16)7-5-13)17-10-12-2-8-15(18)9-3-12/h2-9,11,17-18H,10H2,1H3/t11-/m1/s1
InChIKeyRMYKMCGWCMZPCS-LLVKDONJSA-N
MW306.20 g/mol
LogP4.01
Rot. Bonds4

About 4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]phenol

4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]phenol (PubChem CID 54275254) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]phenol
PubChem CID54275254
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]phenol
SMILESC[C@@H](NCc1ccc(O)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO/c1-11(13-4-6-14(16)7-5-13)17-10-12-2-8-15(18)9-3-12/h2-9,11,17-18H,10H2,1H3/t11-/m1/s1
InChIKeyRMYKMCGWCMZPCS-LLVKDONJSA-N
XLogP4.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]phenol?
The IUPAC name of 4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]phenol (CID 54275254) is 4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]phenol.
What is the SMILES notation for 4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]phenol?
The canonical SMILES for 4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]phenol is C[C@@H](NCc1ccc(O)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]phenol?
The InChIKey is RMYKMCGWCMZPCS-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-11(13-4-6-14(16)7-5-13)17-10-12-2-8-15(18)9-3-12/h2-9,11,17-18H,10H2,1H3/t11-/m1/s1.
What are the key properties of 4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]phenol?
4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]phenol has a molecular weight of 306.20 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]phenol is sourced from PubChem (CID 54275254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).