2-[4-[(4-bromophenyl)methylamino]phenyl]ethanol

C15H16BrNO — CID 61238413

IUPAC2-[4-[(4-bromophenyl)methylamino]phenyl]ethanol
SMILESOCCc1ccc(NCc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H16BrNO/c16-14-5-1-13(2-6-14)11-17-15-7-3-12(4-8-15)9-10-18/h1-8,17-18H,9-11H2
InChIKeyVHAPUJDWHRTAGP-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.60
Rot. Bonds5

About 2-[4-[(4-bromophenyl)methylamino]phenyl]ethanol

2-[4-[(4-bromophenyl)methylamino]phenyl]ethanol (PubChem CID 61238413) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 2-[4-[(4-bromophenyl)methylamino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-bromophenyl)methylamino]phenyl]ethanol
PubChem CID61238413
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name2-[4-[(4-bromophenyl)methylamino]phenyl]ethanol
SMILESOCCc1ccc(NCc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H16BrNO/c16-14-5-1-13(2-6-14)11-17-15-7-3-12(4-8-15)9-10-18/h1-8,17-18H,9-11H2
InChIKeyVHAPUJDWHRTAGP-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol
CID 81002416
2-[4-[(2-bromophenyl)methylamino]phenyl]ethanol
CID 61236412
2-[4-[(3-bromofuran-2-yl)methylamino]phenyl]ethanol
CID 113253732
2-[4-[(4-prop-2-enoxyphenyl)methylamino]phenyl]ethanol
CID 61238423
2,6-difluoro-4-[[4-(2-hydroxyethyl)anilino]methyl]phenol
CID 79891958
[4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide
CID 43745169
2-(4-bromophenoxy)-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 55989555
N-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide
CID 43230530
2-[4-[(4-bromoanilino)methyl]phenyl]propanoic acid
CID 103234443
acetonitrile;2-(4-bromophenyl)ethanol;ethane
CID 162439608
2-[4-[(2,3,6-trichlorophenyl)methylamino]phenyl]ethanol
CID 78968853
ethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate
CID 43703857

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromophenyl)methylamino]phenyl]ethanol?
The IUPAC name of 2-[4-[(4-bromophenyl)methylamino]phenyl]ethanol (CID 61238413) is 2-[4-[(4-bromophenyl)methylamino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(4-bromophenyl)methylamino]phenyl]ethanol?
The canonical SMILES for 2-[4-[(4-bromophenyl)methylamino]phenyl]ethanol is OCCc1ccc(NCc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[4-[(4-bromophenyl)methylamino]phenyl]ethanol?
The InChIKey is VHAPUJDWHRTAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c16-14-5-1-13(2-6-14)11-17-15-7-3-12(4-8-15)9-10-18/h1-8,17-18H,9-11H2.
What are the key properties of 2-[4-[(4-bromophenyl)methylamino]phenyl]ethanol?
2-[4-[(4-bromophenyl)methylamino]phenyl]ethanol has a molecular weight of 306.20 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromophenyl)methylamino]phenyl]ethanol is sourced from PubChem (CID 61238413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).