4-chloro-3,6-dimethyl-2-[2-(methylamino)ethyl]phenol

C11H16ClNO — CID 82552432

IUPAC4-chloro-3,6-dimethyl-2-[2-(methylamino)ethyl]phenol
SMILESCNCCc1c(C)c(Cl)cc(C)c1O
InChIInChI=1S/C11H16ClNO/c1-7-6-10(12)8(2)9(11(7)14)4-5-13-3/h6,13-14H,4-5H2,1-3H3
InChIKeyPCOFUYVEABYVCA-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.42
Rot. Bonds3

About 4-chloro-3,6-dimethyl-2-[2-(methylamino)ethyl]phenol

4-chloro-3,6-dimethyl-2-[2-(methylamino)ethyl]phenol (PubChem CID 82552432) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 4-chloro-3,6-dimethyl-2-[2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name4-chloro-3,6-dimethyl-2-[2-(methylamino)ethyl]phenol
PubChem CID82552432
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name4-chloro-3,6-dimethyl-2-[2-(methylamino)ethyl]phenol
SMILESCNCCc1c(C)c(Cl)cc(C)c1O
InChIInChI=1S/C11H16ClNO/c1-7-6-10(12)8(2)9(11(7)14)4-5-13-3/h6,13-14H,4-5H2,1-3H3
InChIKeyPCOFUYVEABYVCA-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,6-dimethyl-2-[2-(methylamino)ethyl]phenol?
The IUPAC name of 4-chloro-3,6-dimethyl-2-[2-(methylamino)ethyl]phenol (CID 82552432) is 4-chloro-3,6-dimethyl-2-[2-(methylamino)ethyl]phenol.
What is the SMILES notation for 4-chloro-3,6-dimethyl-2-[2-(methylamino)ethyl]phenol?
The canonical SMILES for 4-chloro-3,6-dimethyl-2-[2-(methylamino)ethyl]phenol is CNCCc1c(C)c(Cl)cc(C)c1O.
What is the InChIKey of 4-chloro-3,6-dimethyl-2-[2-(methylamino)ethyl]phenol?
The InChIKey is PCOFUYVEABYVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-7-6-10(12)8(2)9(11(7)14)4-5-13-3/h6,13-14H,4-5H2,1-3H3.
What are the key properties of 4-chloro-3,6-dimethyl-2-[2-(methylamino)ethyl]phenol?
4-chloro-3,6-dimethyl-2-[2-(methylamino)ethyl]phenol has a molecular weight of 213.71 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,6-dimethyl-2-[2-(methylamino)ethyl]phenol is sourced from PubChem (CID 82552432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).