2-bromo-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol

C15H16BrNO — CID 81351567

IUPAC2-bromo-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
SMILESC[C@@H](NCc1ccc(O)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H16BrNO/c1-11(13-5-3-2-4-6-13)17-10-12-7-8-15(18)14(16)9-12/h2-9,11,17-18H,10H2,1H3/t11-/m1/s1
InChIKeyCXNCNCOAWKUQOJ-LLVKDONJSA-N
MW306.20 g/mol
LogP4.01
Rot. Bonds4

About 2-bromo-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol

2-bromo-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol (PubChem CID 81351567) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 2-bromo-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
PubChem CID81351567
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name2-bromo-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
SMILESC[C@@H](NCc1ccc(O)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H16BrNO/c1-11(13-5-3-2-4-6-13)17-10-12-7-8-15(18)14(16)9-12/h2-9,11,17-18H,10H2,1H3/t11-/m1/s1
InChIKeyCXNCNCOAWKUQOJ-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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Related Compounds

(1S)-N-[(3,4-dibromophenyl)methyl]-1-phenylethanamine
CID 114985822
2-bromo-4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 81353451
4-[[[(1R)-1-phenylethyl]amino]methyl]-2-[[[(1S)-1-phenylethyl]amino]methyl]phenol
CID 71178152
2-bromo-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenol
CID 81375588
2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol
CID 55025832
2-bromo-4-[(3-phenylbutylamino)methyl]phenol
CID 63052634
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]benzene-1,2-diol
CID 81353571
N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844
2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol
CID 114985567
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine;hydrochloride
CID 172883048
2-bromo-4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]phenol
CID 60669278

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol?
The IUPAC name of 2-bromo-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol (CID 81351567) is 2-bromo-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol?
The canonical SMILES for 2-bromo-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol is C[C@@H](NCc1ccc(O)c(Br)c1)c1ccccc1.
What is the InChIKey of 2-bromo-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol?
The InChIKey is CXNCNCOAWKUQOJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-11(13-5-3-2-4-6-13)17-10-12-7-8-15(18)14(16)9-12/h2-9,11,17-18H,10H2,1H3/t11-/m1/s1.
What are the key properties of 2-bromo-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol?
2-bromo-4-[[[(1R)-1-phenylethyl]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 2-bromo-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol is sourced from PubChem (CID 81351567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).