2-chloro-N-(2-pentoxyethyl)aniline

C13H20ClNO — CID 62583761

IUPAC2-chloro-N-(2-pentoxyethyl)aniline
SMILESCCCCCOCCNc1ccccc1Cl
InChIInChI=1S/C13H20ClNO/c1-2-3-6-10-16-11-9-15-13-8-5-4-7-12(13)14/h4-5,7-8,15H,2-3,6,9-11H2,1H3
InChIKeyMTUHRDLAYZKERS-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.96
Rot. Bonds8

About 2-chloro-N-(2-pentoxyethyl)aniline

2-chloro-N-(2-pentoxyethyl)aniline (PubChem CID 62583761) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-chloro-N-(2-pentoxyethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(2-pentoxyethyl)aniline
PubChem CID62583761
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-chloro-N-(2-pentoxyethyl)aniline
SMILESCCCCCOCCNc1ccccc1Cl
InChIInChI=1S/C13H20ClNO/c1-2-3-6-10-16-11-9-15-13-8-5-4-7-12(13)14/h4-5,7-8,15H,2-3,6,9-11H2,1H3
InChIKeyMTUHRDLAYZKERS-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.96
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

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CID 61482959
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N-(2-butoxyethyl)-2-chloro-4-iodoaniline
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2-chloro-N-[2-(2-cyclobutylethoxy)ethyl]aniline
CID 106206391
N-(2-chlorophenyl)-N',N'-dioctylpropane-1,3-diamine
CID 175592043
2-butoxy-N-[2-(2-chlorophenoxy)ethyl]aniline
CID 54801671
2-(2-butoxyethylamino)benzenesulfonamide
CID 61169915
3-chloro-N-(2-octoxyethyl)aniline
CID 63506591
1-(3-butoxypropyl)-3-(2-chlorophenyl)urea
CID 78793865
2-butoxy-N-[2-(2-chlorophenyl)sulfonylethyl]ethanamine
CID 106512607
N-[2-(2-butoxyethoxy)ethyl]aniline
CID 55093379
4-(2-butoxyethylamino)-3-chlorobenzenecarbothioamide
CID 55182191

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-pentoxyethyl)aniline?
The IUPAC name of 2-chloro-N-(2-pentoxyethyl)aniline (CID 62583761) is 2-chloro-N-(2-pentoxyethyl)aniline.
What is the SMILES notation for 2-chloro-N-(2-pentoxyethyl)aniline?
The canonical SMILES for 2-chloro-N-(2-pentoxyethyl)aniline is CCCCCOCCNc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-pentoxyethyl)aniline?
The InChIKey is MTUHRDLAYZKERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-2-3-6-10-16-11-9-15-13-8-5-4-7-12(13)14/h4-5,7-8,15H,2-3,6,9-11H2,1H3.
What are the key properties of 2-chloro-N-(2-pentoxyethyl)aniline?
2-chloro-N-(2-pentoxyethyl)aniline has a molecular weight of 241.76 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-pentoxyethyl)aniline is sourced from PubChem (CID 62583761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).