[3-chloro-4-(4-ethyl-N-methylanilino)phenyl]methanol

C16H18ClNO — CID 81151814

IUPAC[3-chloro-4-(4-ethyl-N-methylanilino)phenyl]methanol
SMILESCCc1ccc(N(C)c2ccc(CO)cc2Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-3-12-4-7-14(8-5-12)18(2)16-9-6-13(11-19)10-15(16)17/h4-10,19H,3,11H2,1-2H3
InChIKeyBLPMRAUXALEVII-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.16
Rot. Bonds4

About [3-chloro-4-(4-ethyl-N-methylanilino)phenyl]methanol

[3-chloro-4-(4-ethyl-N-methylanilino)phenyl]methanol (PubChem CID 81151814) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is [3-chloro-4-(4-ethyl-N-methylanilino)phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-(4-ethyl-N-methylanilino)phenyl]methanol
PubChem CID81151814
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name[3-chloro-4-(4-ethyl-N-methylanilino)phenyl]methanol
SMILESCCc1ccc(N(C)c2ccc(CO)cc2Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-3-12-4-7-14(8-5-12)18(2)16-9-6-13(11-19)10-15(16)17/h4-10,19H,3,11H2,1-2H3
InChIKeyBLPMRAUXALEVII-UHFFFAOYSA-N
XLogP4.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(4-ethyl-N-methylanilino)phenyl]methanol?
The IUPAC name of [3-chloro-4-(4-ethyl-N-methylanilino)phenyl]methanol (CID 81151814) is [3-chloro-4-(4-ethyl-N-methylanilino)phenyl]methanol.
What is the SMILES notation for [3-chloro-4-(4-ethyl-N-methylanilino)phenyl]methanol?
The canonical SMILES for [3-chloro-4-(4-ethyl-N-methylanilino)phenyl]methanol is CCc1ccc(N(C)c2ccc(CO)cc2Cl)cc1.
What is the InChIKey of [3-chloro-4-(4-ethyl-N-methylanilino)phenyl]methanol?
The InChIKey is BLPMRAUXALEVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-3-12-4-7-14(8-5-12)18(2)16-9-6-13(11-19)10-15(16)17/h4-10,19H,3,11H2,1-2H3.
What are the key properties of [3-chloro-4-(4-ethyl-N-methylanilino)phenyl]methanol?
[3-chloro-4-(4-ethyl-N-methylanilino)phenyl]methanol has a molecular weight of 275.78 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(4-ethyl-N-methylanilino)phenyl]methanol is sourced from PubChem (CID 81151814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).