2-[(3,4-dibromophenyl)methylamino]-1-phenylethanol

C15H15Br2NO — CID 115692952

IUPAC2-[(3,4-dibromophenyl)methylamino]-1-phenylethanol
SMILESOC(CNCc1ccc(Br)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H15Br2NO/c16-13-7-6-11(8-14(13)17)9-18-10-15(19)12-4-2-1-3-5-12/h1-8,15,18-19H,9-10H2
InChIKeyRQAKNFKJESJJGN-UHFFFAOYSA-N
MW385.10 g/mol
LogP4.03
Rot. Bonds5

About 2-[(3,4-dibromophenyl)methylamino]-1-phenylethanol

2-[(3,4-dibromophenyl)methylamino]-1-phenylethanol (PubChem CID 115692952) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is 2-[(3,4-dibromophenyl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(3,4-dibromophenyl)methylamino]-1-phenylethanol
PubChem CID115692952
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name2-[(3,4-dibromophenyl)methylamino]-1-phenylethanol
SMILESOC(CNCc1ccc(Br)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H15Br2NO/c16-13-7-6-11(8-14(13)17)9-18-10-15(19)12-4-2-1-3-5-12/h1-8,15,18-19H,9-10H2
InChIKeyRQAKNFKJESJJGN-UHFFFAOYSA-N
XLogP4.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.10
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol
CID 2978838
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride
CID 2978837
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
2-[(4-iodophenyl)methylamino]-1-phenylethanol
CID 65479403
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol
CID 60788575
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
2-(1,3-benzodioxol-5-ylmethylamino)-1-phenylethanol;hydrochloride
CID 6459444
2-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721232
(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950
(1S)-N-[(3,4-dibromophenyl)methyl]-1-phenylethanamine
CID 114985822
2-[[4-(benzenesulfonyl)phenyl]methylamino]-1-phenylethanol
CID 76673609

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dibromophenyl)methylamino]-1-phenylethanol?
The IUPAC name of 2-[(3,4-dibromophenyl)methylamino]-1-phenylethanol (CID 115692952) is 2-[(3,4-dibromophenyl)methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[(3,4-dibromophenyl)methylamino]-1-phenylethanol?
The canonical SMILES for 2-[(3,4-dibromophenyl)methylamino]-1-phenylethanol is OC(CNCc1ccc(Br)c(Br)c1)c1ccccc1.
What is the InChIKey of 2-[(3,4-dibromophenyl)methylamino]-1-phenylethanol?
The InChIKey is RQAKNFKJESJJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c16-13-7-6-11(8-14(13)17)9-18-10-15(19)12-4-2-1-3-5-12/h1-8,15,18-19H,9-10H2.
What are the key properties of 2-[(3,4-dibromophenyl)methylamino]-1-phenylethanol?
2-[(3,4-dibromophenyl)methylamino]-1-phenylethanol has a molecular weight of 385.10 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dibromophenyl)methylamino]-1-phenylethanol is sourced from PubChem (CID 115692952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).