N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline

C16H18ClNO — CID 55195145

IUPACN-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline
SMILESCc1ccc(NCCOc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-12-3-6-14(7-4-12)18-9-10-19-16-11-13(2)5-8-15(16)17/h3-8,11,18H,9-10H2,1-2H3
InChIKeyKNEUOLMDCHNBCK-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.45
Rot. Bonds5

About N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline

N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline (PubChem CID 55195145) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline.

Molecular Properties

Compound NameN-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline
PubChem CID55195145
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC NameN-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline
SMILESCc1ccc(NCCOc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-12-3-6-14(7-4-12)18-9-10-19-16-11-13(2)5-8-15(16)17/h3-8,11,18H,9-10H2,1-2H3
InChIKeyKNEUOLMDCHNBCK-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-chloro-5-methylphenoxy)propyl]aniline
CID 62597720
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-fluoroaniline
CID 63516051
N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine
CID 2865567
3-chloro-N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoroaniline
CID 54798350
N-[2-(2-chloro-5-methylphenoxy)ethyl]butan-1-amine
CID 27274455
N-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline
CID 63505890
5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine
CID 62485519
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylbutan-1-amine
CID 62599104
2-(2-chloro-5-methylphenoxy)ethylurea
CID 82081437
N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-1-amine
CID 55211278
N-[2-(4-bromo-2,5-dichlorophenoxy)ethyl]-3-methylaniline
CID 107661398
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline?
The IUPAC name of N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline (CID 55195145) is N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline.
What is the SMILES notation for N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline?
The canonical SMILES for N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline is Cc1ccc(NCCOc2cc(C)ccc2Cl)cc1.
What is the InChIKey of N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline?
The InChIKey is KNEUOLMDCHNBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12-3-6-14(7-4-12)18-9-10-19-16-11-13(2)5-8-15(16)17/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline?
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline has a molecular weight of 275.78 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline is sourced from PubChem (CID 55195145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).