2-[1-(4-chloro-2,5-dimethoxyanilino)ethyl]phenol

C16H18ClNO3 — CID 43105239

IUPAC2-[1-(4-chloro-2,5-dimethoxyanilino)ethyl]phenol
SMILESCOc1cc(NC(C)c2ccccc2O)c(OC)cc1Cl
InChIInChI=1S/C16H18ClNO3/c1-10(11-6-4-5-7-14(11)19)18-13-9-15(20-2)12(17)8-16(13)21-3/h4-10,18-19H,1-3H3
InChIKeyGOYDPWINDLGJFO-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.24
Rot. Bonds5

About 2-[1-(4-chloro-2,5-dimethoxyanilino)ethyl]phenol

2-[1-(4-chloro-2,5-dimethoxyanilino)ethyl]phenol (PubChem CID 43105239) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-[1-(4-chloro-2,5-dimethoxyanilino)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(4-chloro-2,5-dimethoxyanilino)ethyl]phenol
PubChem CID43105239
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name2-[1-(4-chloro-2,5-dimethoxyanilino)ethyl]phenol
SMILESCOc1cc(NC(C)c2ccccc2O)c(OC)cc1Cl
InChIInChI=1S/C16H18ClNO3/c1-10(11-6-4-5-7-14(11)19)18-13-9-15(20-2)12(17)8-16(13)21-3/h4-10,18-19H,1-3H3
InChIKeyGOYDPWINDLGJFO-UHFFFAOYSA-N
XLogP4.24
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-chloro-2-methoxy-5-methylanilino)ethyl]-5-methylphenol
CID 43103443
4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43192168
2-[1-(4-chloro-2-methoxy-5-methylanilino)ethyl]benzene-1,3-diol
CID 107710317
2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43194707
4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 43111565
4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline
CID 43192175
4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethoxyaniline
CID 43438946
2,4-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43103375
2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43107869
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514378
2-[1-(4-chloro-2-fluoroanilino)ethyl]phenol
CID 43716635
4-chloro-2,5-dimethoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43173439

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-2,5-dimethoxyanilino)ethyl]phenol?
The IUPAC name of 2-[1-(4-chloro-2,5-dimethoxyanilino)ethyl]phenol (CID 43105239) is 2-[1-(4-chloro-2,5-dimethoxyanilino)ethyl]phenol.
What is the SMILES notation for 2-[1-(4-chloro-2,5-dimethoxyanilino)ethyl]phenol?
The canonical SMILES for 2-[1-(4-chloro-2,5-dimethoxyanilino)ethyl]phenol is COc1cc(NC(C)c2ccccc2O)c(OC)cc1Cl.
What is the InChIKey of 2-[1-(4-chloro-2,5-dimethoxyanilino)ethyl]phenol?
The InChIKey is GOYDPWINDLGJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-10(11-6-4-5-7-14(11)19)18-13-9-15(20-2)12(17)8-16(13)21-3/h4-10,18-19H,1-3H3.
What are the key properties of 2-[1-(4-chloro-2,5-dimethoxyanilino)ethyl]phenol?
2-[1-(4-chloro-2,5-dimethoxyanilino)ethyl]phenol has a molecular weight of 307.78 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-2,5-dimethoxyanilino)ethyl]phenol is sourced from PubChem (CID 43105239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).