[5-[(4-bromo-2-chlorophenyl)methylamino]-2-ethoxyphenyl]methanol

C16H17BrClNO2 — CID 115744065

IUPAC[5-[(4-bromo-2-chlorophenyl)methylamino]-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(NCc2ccc(Br)cc2Cl)cc1CO
InChIInChI=1S/C16H17BrClNO2/c1-2-21-16-6-5-14(7-12(16)10-20)19-9-11-3-4-13(17)8-15(11)18/h3-8,19-20H,2,9-10H2,1H3
InChIKeyCZUWHRGXJBRYRO-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.61
Rot. Bonds6

About [5-[(4-bromo-2-chlorophenyl)methylamino]-2-ethoxyphenyl]methanol

[5-[(4-bromo-2-chlorophenyl)methylamino]-2-ethoxyphenyl]methanol (PubChem CID 115744065) has the molecular formula C16H17BrClNO2 and a molecular weight of 370.67 g/mol. Its IUPAC name is [5-[(4-bromo-2-chlorophenyl)methylamino]-2-ethoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[(4-bromo-2-chlorophenyl)methylamino]-2-ethoxyphenyl]methanol
PubChem CID115744065
Molecular FormulaC16H17BrClNO2
Molecular Weight370.67 g/mol
Exact Mass369.01
IUPAC Name[5-[(4-bromo-2-chlorophenyl)methylamino]-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(NCc2ccc(Br)cc2Cl)cc1CO
InChIInChI=1S/C16H17BrClNO2/c1-2-21-16-6-5-14(7-12(16)10-20)19-9-11-3-4-13(17)8-15(11)18/h3-8,19-20H,2,9-10H2,1H3
InChIKeyCZUWHRGXJBRYRO-UHFFFAOYSA-N
XLogP4.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[5-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 60981003
[5-[(3,5-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 60980596
[5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol
CID 54880065
[5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 66419817
[2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol
CID 60980868
N-[(4-bromophenyl)methyl]-3-(chloromethyl)-4-ethoxyaniline
CID 65025250
[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol
CID 61324347
5-[(4-bromo-2-chlorophenyl)methylamino]-2-methylphenol
CID 107699880
4-bromo-N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]aniline
CID 66541758
[2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol
CID 62763564
N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylaniline
CID 113470945
4-[(4-bromo-2-chlorophenyl)methylamino]-2,6-dichlorophenol
CID 107678962

Frequently Asked Questions

What is the IUPAC name of [5-[(4-bromo-2-chlorophenyl)methylamino]-2-ethoxyphenyl]methanol?
The IUPAC name of [5-[(4-bromo-2-chlorophenyl)methylamino]-2-ethoxyphenyl]methanol (CID 115744065) is [5-[(4-bromo-2-chlorophenyl)methylamino]-2-ethoxyphenyl]methanol.
What is the SMILES notation for [5-[(4-bromo-2-chlorophenyl)methylamino]-2-ethoxyphenyl]methanol?
The canonical SMILES for [5-[(4-bromo-2-chlorophenyl)methylamino]-2-ethoxyphenyl]methanol is CCOc1ccc(NCc2ccc(Br)cc2Cl)cc1CO.
What is the InChIKey of [5-[(4-bromo-2-chlorophenyl)methylamino]-2-ethoxyphenyl]methanol?
The InChIKey is CZUWHRGXJBRYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO2/c1-2-21-16-6-5-14(7-12(16)10-20)19-9-11-3-4-13(17)8-15(11)18/h3-8,19-20H,2,9-10H2,1H3.
What are the key properties of [5-[(4-bromo-2-chlorophenyl)methylamino]-2-ethoxyphenyl]methanol?
[5-[(4-bromo-2-chlorophenyl)methylamino]-2-ethoxyphenyl]methanol has a molecular weight of 370.67 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-bromo-2-chlorophenyl)methylamino]-2-ethoxyphenyl]methanol is sourced from PubChem (CID 115744065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).