(4-bromophenyl)-[2-[(4-methoxyphenyl)methylamino]phenyl]methanol

C21H20BrNO2 — CID 154709739

IUPAC(4-bromophenyl)-[2-[(4-methoxyphenyl)methylamino]phenyl]methanol
SMILESCOc1ccc(CNc2ccccc2C(O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H20BrNO2/c1-25-18-12-6-15(7-13-18)14-23-20-5-3-2-4-19(20)21(24)16-8-10-17(22)11-9-16/h2-13,21,23-24H,14H2,1H3
InChIKeyHDGPQRPLCRQIPK-UHFFFAOYSA-N
MW398.30 g/mol
LogP5.15
Rot. Bonds6

About (4-bromophenyl)-[2-[(4-methoxyphenyl)methylamino]phenyl]methanol

(4-bromophenyl)-[2-[(4-methoxyphenyl)methylamino]phenyl]methanol (PubChem CID 154709739) has the molecular formula C21H20BrNO2 and a molecular weight of 398.30 g/mol. Its IUPAC name is (4-bromophenyl)-[2-[(4-methoxyphenyl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name(4-bromophenyl)-[2-[(4-methoxyphenyl)methylamino]phenyl]methanol
PubChem CID154709739
Molecular FormulaC21H20BrNO2
Molecular Weight398.30 g/mol
Exact Mass397.07
IUPAC Name(4-bromophenyl)-[2-[(4-methoxyphenyl)methylamino]phenyl]methanol
SMILESCOc1ccc(CNc2ccccc2C(O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H20BrNO2/c1-25-18-12-6-15(7-13-18)14-23-20-5-3-2-4-19(20)21(24)16-8-10-17(22)11-9-16/h2-13,21,23-24H,14H2,1H3
InChIKeyHDGPQRPLCRQIPK-UHFFFAOYSA-N
XLogP5.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.30
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(benzylamino)phenyl]-phenylmethanol
CID 12686542
1-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178104
4-bromo-1-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 28903349
4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline
CID 43347330
4-bromo-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 65343343
N-ethyl-2-[hydroxy-(4-methoxyphenyl)methyl]benzenecarbothioamide
CID 177493458
2-[(4-methoxyphenyl)methylamino]benzoate
CID 3280708
N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline
CID 54801511
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)propane-1,3-diol
CID 164900088
2-[hydroxy-(4-methoxyphenyl)methyl]benzamide
CID 101445139
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126121541
2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-methoxyaniline
CID 115524054

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[2-[(4-methoxyphenyl)methylamino]phenyl]methanol?
The IUPAC name of (4-bromophenyl)-[2-[(4-methoxyphenyl)methylamino]phenyl]methanol (CID 154709739) is (4-bromophenyl)-[2-[(4-methoxyphenyl)methylamino]phenyl]methanol.
What is the SMILES notation for (4-bromophenyl)-[2-[(4-methoxyphenyl)methylamino]phenyl]methanol?
The canonical SMILES for (4-bromophenyl)-[2-[(4-methoxyphenyl)methylamino]phenyl]methanol is COc1ccc(CNc2ccccc2C(O)c2ccc(Br)cc2)cc1.
What is the InChIKey of (4-bromophenyl)-[2-[(4-methoxyphenyl)methylamino]phenyl]methanol?
The InChIKey is HDGPQRPLCRQIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrNO2/c1-25-18-12-6-15(7-13-18)14-23-20-5-3-2-4-19(20)21(24)16-8-10-17(22)11-9-16/h2-13,21,23-24H,14H2,1H3.
What are the key properties of (4-bromophenyl)-[2-[(4-methoxyphenyl)methylamino]phenyl]methanol?
(4-bromophenyl)-[2-[(4-methoxyphenyl)methylamino]phenyl]methanol has a molecular weight of 398.30 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[2-[(4-methoxyphenyl)methylamino]phenyl]methanol is sourced from PubChem (CID 154709739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).