5-(3-chloro-2-ethoxyanilino)pentan-1-ol

C13H20ClNO2 — CID 111770370

IUPAC5-(3-chloro-2-ethoxyanilino)pentan-1-ol
SMILESCCOc1c(Cl)cccc1NCCCCCO
InChIInChI=1S/C13H20ClNO2/c1-2-17-13-11(14)7-6-8-12(13)15-9-4-3-5-10-16/h6-8,15-16H,2-5,9-10H2,1H3
InChIKeyNFEJTLPNTFHQGI-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.31
Rot. Bonds8

About 5-(3-chloro-2-ethoxyanilino)pentan-1-ol

5-(3-chloro-2-ethoxyanilino)pentan-1-ol (PubChem CID 111770370) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 5-(3-chloro-2-ethoxyanilino)pentan-1-ol.

Molecular Properties

Compound Name5-(3-chloro-2-ethoxyanilino)pentan-1-ol
PubChem CID111770370
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name5-(3-chloro-2-ethoxyanilino)pentan-1-ol
SMILESCCOc1c(Cl)cccc1NCCCCCO
InChIInChI=1S/C13H20ClNO2/c1-2-17-13-11(14)7-6-8-12(13)15-9-4-3-5-10-16/h6-8,15-16H,2-5,9-10H2,1H3
InChIKeyNFEJTLPNTFHQGI-UHFFFAOYSA-N
XLogP3.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 106840311
2-(3-chloro-2-methoxyanilino)ethanol
CID 130667587
1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea
CID 47442366
(3-chloro-2-ethoxyphenyl)hydrazine
CID 130779145
5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
CID 165350008
4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride
CID 139629187
5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol
CID 107318017
5-(2-amino-3-propoxyanilino)pentan-1-ol
CID 107316474
3-chloro-2-methyl-N-octylaniline
CID 43129192
4-(2-butoxyanilino)butan-1-ol
CID 54803446
3-chloro-1-N-hexylbenzene-1,2-diamine
CID 104834589
3-chloro-1-N-decylbenzene-1,2-diamine
CID 104834723

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-ethoxyanilino)pentan-1-ol?
The IUPAC name of 5-(3-chloro-2-ethoxyanilino)pentan-1-ol (CID 111770370) is 5-(3-chloro-2-ethoxyanilino)pentan-1-ol.
What is the SMILES notation for 5-(3-chloro-2-ethoxyanilino)pentan-1-ol?
The canonical SMILES for 5-(3-chloro-2-ethoxyanilino)pentan-1-ol is CCOc1c(Cl)cccc1NCCCCCO.
What is the InChIKey of 5-(3-chloro-2-ethoxyanilino)pentan-1-ol?
The InChIKey is NFEJTLPNTFHQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-2-17-13-11(14)7-6-8-12(13)15-9-4-3-5-10-16/h6-8,15-16H,2-5,9-10H2,1H3.
What are the key properties of 5-(3-chloro-2-ethoxyanilino)pentan-1-ol?
5-(3-chloro-2-ethoxyanilino)pentan-1-ol has a molecular weight of 257.76 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-ethoxyanilino)pentan-1-ol is sourced from PubChem (CID 111770370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).