3-[1-(2-chloro-5-methylphenoxy)ethyl]aniline

C15H16ClNO — CID 61262210

IUPAC3-[1-(2-chloro-5-methylphenoxy)ethyl]aniline
SMILESCc1ccc(Cl)c(OC(C)c2cccc(N)c2)c1
InChIInChI=1S/C15H16ClNO/c1-10-6-7-14(16)15(8-10)18-11(2)12-4-3-5-13(17)9-12/h3-9,11H,17H2,1-2H3
InChIKeyPDCKWMAWHKRMKN-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.37
Rot. Bonds3

About 3-[1-(2-chloro-5-methylphenoxy)ethyl]aniline

3-[1-(2-chloro-5-methylphenoxy)ethyl]aniline (PubChem CID 61262210) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 3-[1-(2-chloro-5-methylphenoxy)ethyl]aniline.

Molecular Properties

Compound Name3-[1-(2-chloro-5-methylphenoxy)ethyl]aniline
PubChem CID61262210
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name3-[1-(2-chloro-5-methylphenoxy)ethyl]aniline
SMILESCc1ccc(Cl)c(OC(C)c2cccc(N)c2)c1
InChIInChI=1S/C15H16ClNO/c1-10-6-7-14(16)15(8-10)18-11(2)12-4-3-5-13(17)9-12/h3-9,11H,17H2,1-2H3
InChIKeyPDCKWMAWHKRMKN-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[1-(2-chloro-5-methylphenoxy)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(2-chloro-4-fluorophenoxy)ethyl]aniline
CID 61263144
3-[1-(2-bromophenoxy)ethyl]aniline
CID 61262951
3-[1-(3-chlorophenoxy)ethyl]aniline
CID 61263691
2-(2-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 55020668
3-[1-(5-bromo-2-methylphenoxy)ethyl]aniline
CID 107283479
1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460298
1-chloro-2-(1-iodoethoxy)-4-methylbenzene
CID 130224829
2-(2-chloro-5-methylphenoxy)-2-phenylethanamine
CID 55017590
1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine
CID 62669709
N-[2-[1-(3-aminophenyl)ethoxy]phenyl]acetamide
CID 61261456
3-[1-(3-bromophenoxy)ethyl]aniline
CID 61263689
2-chloro-5-methyl-4-(1-phenylethoxy)aniline
CID 115555256

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-5-methylphenoxy)ethyl]aniline?
The IUPAC name of 3-[1-(2-chloro-5-methylphenoxy)ethyl]aniline (CID 61262210) is 3-[1-(2-chloro-5-methylphenoxy)ethyl]aniline.
What is the SMILES notation for 3-[1-(2-chloro-5-methylphenoxy)ethyl]aniline?
The canonical SMILES for 3-[1-(2-chloro-5-methylphenoxy)ethyl]aniline is Cc1ccc(Cl)c(OC(C)c2cccc(N)c2)c1.
What is the InChIKey of 3-[1-(2-chloro-5-methylphenoxy)ethyl]aniline?
The InChIKey is PDCKWMAWHKRMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-6-7-14(16)15(8-10)18-11(2)12-4-3-5-13(17)9-12/h3-9,11H,17H2,1-2H3.
What are the key properties of 3-[1-(2-chloro-5-methylphenoxy)ethyl]aniline?
3-[1-(2-chloro-5-methylphenoxy)ethyl]aniline has a molecular weight of 261.75 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-5-methylphenoxy)ethyl]aniline is sourced from PubChem (CID 61262210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).