2-[1-(5-chloro-2-methylanilino)ethyl]phenol

C15H16ClNO — CID 43189458

IUPAC2-[1-(5-chloro-2-methylanilino)ethyl]phenol
SMILESCc1ccc(Cl)cc1NC(C)c1ccccc1O
InChIInChI=1S/C15H16ClNO/c1-10-7-8-12(16)9-14(10)17-11(2)13-5-3-4-6-15(13)18/h3-9,11,17-18H,1-2H3
InChIKeyUPQYMTZLISRGQS-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.53
Rot. Bonds3

About 2-[1-(5-chloro-2-methylanilino)ethyl]phenol

2-[1-(5-chloro-2-methylanilino)ethyl]phenol (PubChem CID 43189458) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-[1-(5-chloro-2-methylanilino)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(5-chloro-2-methylanilino)ethyl]phenol
PubChem CID43189458
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-[1-(5-chloro-2-methylanilino)ethyl]phenol
SMILESCc1ccc(Cl)cc1NC(C)c1ccccc1O
InChIInChI=1S/C15H16ClNO/c1-10-7-8-12(16)9-14(10)17-11(2)13-5-3-4-6-15(13)18/h3-9,11,17-18H,1-2H3
InChIKeyUPQYMTZLISRGQS-UHFFFAOYSA-N
XLogP4.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(5-chloro-2-methylanilino)ethyl]benzene-1,3-diol
CID 43189464
2-[1-(2,5-dimethylanilino)ethyl]phenol
CID 43196548
2-[1-(4-chloro-2-fluoroanilino)ethyl]phenol
CID 43716635
2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol
CID 43741167
3-[1-(2-hydroxyphenyl)ethylamino]-4-methylbenzoic acid
CID 43727547
4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol
CID 107714478
5-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylaniline
CID 43109609
2-[1-(2-bromo-5-chloro-4-methylanilino)ethyl]phenol
CID 104722699
4-chloro-2-[1-(2,3-dimethylanilino)ethyl]phenol
CID 2947511
5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43102806
5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43109746
4-chloro-2-[(1S)-1-(2,6-dimethylanilino)ethyl]phenol
CID 828639

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-2-methylanilino)ethyl]phenol?
The IUPAC name of 2-[1-(5-chloro-2-methylanilino)ethyl]phenol (CID 43189458) is 2-[1-(5-chloro-2-methylanilino)ethyl]phenol.
What is the SMILES notation for 2-[1-(5-chloro-2-methylanilino)ethyl]phenol?
The canonical SMILES for 2-[1-(5-chloro-2-methylanilino)ethyl]phenol is Cc1ccc(Cl)cc1NC(C)c1ccccc1O.
What is the InChIKey of 2-[1-(5-chloro-2-methylanilino)ethyl]phenol?
The InChIKey is UPQYMTZLISRGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-7-8-12(16)9-14(10)17-11(2)13-5-3-4-6-15(13)18/h3-9,11,17-18H,1-2H3.
What are the key properties of 2-[1-(5-chloro-2-methylanilino)ethyl]phenol?
2-[1-(5-chloro-2-methylanilino)ethyl]phenol has a molecular weight of 261.75 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-2-methylanilino)ethyl]phenol is sourced from PubChem (CID 43189458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).