2-[1-(2-chloro-6-methylanilino)ethyl]-4-methoxyphenol

C16H18ClNO2 — CID 66252042

IUPAC2-[1-(2-chloro-6-methylanilino)ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)Nc2c(C)cccc2Cl)c1
InChIInChI=1S/C16H18ClNO2/c1-10-5-4-6-14(17)16(10)18-11(2)13-9-12(20-3)7-8-15(13)19/h4-9,11,18-19H,1-3H3
InChIKeySGCCXIUQWYWQSP-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.54
Rot. Bonds4

About 2-[1-(2-chloro-6-methylanilino)ethyl]-4-methoxyphenol

2-[1-(2-chloro-6-methylanilino)ethyl]-4-methoxyphenol (PubChem CID 66252042) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[1-(2-chloro-6-methylanilino)ethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[1-(2-chloro-6-methylanilino)ethyl]-4-methoxyphenol
PubChem CID66252042
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-[1-(2-chloro-6-methylanilino)ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)Nc2c(C)cccc2Cl)c1
InChIInChI=1S/C16H18ClNO2/c1-10-5-4-6-14(17)16(10)18-11(2)13-9-12(20-3)7-8-15(13)19/h4-9,11,18-19H,1-3H3
InChIKeySGCCXIUQWYWQSP-UHFFFAOYSA-N
XLogP4.54
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2,6-dibromoanilino)ethyl]-4-methoxyphenol
CID 107597660
4-chloro-2-[(1S)-1-(2,6-dimethylanilino)ethyl]phenol
CID 828639
2-[1-(3,4-dimethylanilino)ethyl]-4-methoxyphenol
CID 43194154
N-(2-chloro-6-methylphenyl)-2-hydroxy-5-methoxybenzamide
CID 66255339
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754
5-[1-(2-chloro-6-methylanilino)ethyl]benzene-1,3-diol
CID 107706758
2-chloro-6-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 66252833
2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-methoxyphenol
CID 104726376
4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol
CID 43189507
4-methoxy-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
CID 63305945
2-[1-(2,4-dimethoxyanilino)ethyl]-4-methylphenol
CID 43504604
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-chloro-6-methylaniline
CID 82963733

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-6-methylanilino)ethyl]-4-methoxyphenol?
The IUPAC name of 2-[1-(2-chloro-6-methylanilino)ethyl]-4-methoxyphenol (CID 66252042) is 2-[1-(2-chloro-6-methylanilino)ethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[1-(2-chloro-6-methylanilino)ethyl]-4-methoxyphenol?
The canonical SMILES for 2-[1-(2-chloro-6-methylanilino)ethyl]-4-methoxyphenol is COc1ccc(O)c(C(C)Nc2c(C)cccc2Cl)c1.
What is the InChIKey of 2-[1-(2-chloro-6-methylanilino)ethyl]-4-methoxyphenol?
The InChIKey is SGCCXIUQWYWQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-10-5-4-6-14(17)16(10)18-11(2)13-9-12(20-3)7-8-15(13)19/h4-9,11,18-19H,1-3H3.
What are the key properties of 2-[1-(2-chloro-6-methylanilino)ethyl]-4-methoxyphenol?
2-[1-(2-chloro-6-methylanilino)ethyl]-4-methoxyphenol has a molecular weight of 291.78 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-6-methylanilino)ethyl]-4-methoxyphenol is sourced from PubChem (CID 66252042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).