N-[2-(2-chlorophenoxy)ethyl]aniline

C14H14ClNO — CID 19079516

IUPACN-[2-(2-chlorophenoxy)ethyl]aniline
SMILESClc1ccccc1OCCNc1ccccc1
InChIInChI=1S/C14H14ClNO/c15-13-8-4-5-9-14(13)17-11-10-16-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKeyYGPDZJUBKMSUGC-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.83
Rot. Bonds5

About N-[2-(2-chlorophenoxy)ethyl]aniline

N-[2-(2-chlorophenoxy)ethyl]aniline (PubChem CID 19079516) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]aniline
PubChem CID19079516
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]aniline
SMILESClc1ccccc1OCCNc1ccccc1
InChIInChI=1S/C14H14ClNO/c15-13-8-4-5-9-14(13)17-11-10-16-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKeyYGPDZJUBKMSUGC-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.83
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-[2-(2-chlorophenoxy)ethyl]-3,5-dimethylaniline
CID 54796846
N-[2-(2-chlorophenoxy)ethyl]-4-propoxyaniline
CID 54798999
N-[2-(2-bromophenoxy)ethyl]-4-chloroaniline
CID 63505941
1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
CID 2972238
N-[3-(2-chloro-5-methylphenoxy)propyl]aniline
CID 62597720
1-[2-(2-chlorophenoxy)ethyl]-3-phenylthiourea
CID 4592854
4-chloro-N-[2-(2-fluorophenoxy)ethyl]aniline
CID 55024304
N-[2-(2-chlorophenoxy)ethyl]-3-(2-ethoxyethoxy)aniline
CID 54802134
N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54796175
N'-[2-(2-chlorophenoxy)ethyl]ethane-1,2-diamine
CID 69274969
3-(2-chlorophenoxy)-N-propylpropan-1-amine
CID 29015603
4-chloro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
CID 63505392

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]aniline?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]aniline (CID 19079516) is N-[2-(2-chlorophenoxy)ethyl]aniline.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]aniline?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]aniline is Clc1ccccc1OCCNc1ccccc1.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]aniline?
The InChIKey is YGPDZJUBKMSUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c15-13-8-4-5-9-14(13)17-11-10-16-12-6-2-1-3-7-12/h1-9,16H,10-11H2.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]aniline?
N-[2-(2-chlorophenoxy)ethyl]aniline has a molecular weight of 247.73 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]aniline is sourced from PubChem (CID 19079516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).