4-[N-hexyl-4-(2-pyrrolidin-1-ylethoxy)anilino]phenol

C24H34N2O2 — CID 118727021

IUPAC4-[N-hexyl-4-(2-pyrrolidin-1-ylethoxy)anilino]phenol
SMILESCCCCCCN(c1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C24H34N2O2/c1-2-3-4-5-18-26(21-8-12-23(27)13-9-21)22-10-14-24(15-11-22)28-20-19-25-16-6-7-17-25/h8-15,27H,2-7,16-20H2,1H3
InChIKeyCCMYVPIPOLLDGX-UHFFFAOYSA-N
MW382.55 g/mol
LogP5.59
Rot. Bonds11

About 4-[N-hexyl-4-(2-pyrrolidin-1-ylethoxy)anilino]phenol

4-[N-hexyl-4-(2-pyrrolidin-1-ylethoxy)anilino]phenol (PubChem CID 118727021) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 4-[N-hexyl-4-(2-pyrrolidin-1-ylethoxy)anilino]phenol.

Molecular Properties

Compound Name4-[N-hexyl-4-(2-pyrrolidin-1-ylethoxy)anilino]phenol
PubChem CID118727021
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name4-[N-hexyl-4-(2-pyrrolidin-1-ylethoxy)anilino]phenol
SMILESCCCCCCN(c1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C24H34N2O2/c1-2-3-4-5-18-26(21-8-12-23(27)13-9-21)22-10-14-24(15-11-22)28-20-19-25-16-6-7-17-25/h8-15,27H,2-7,16-20H2,1H3
InChIKeyCCMYVPIPOLLDGX-UHFFFAOYSA-N
XLogP5.59
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-octadecoxyphenol
CID 22179059
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[2-(4-propylphenoxy)ethyl]pyrrolidine
CID 54244276
N-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 118727033
decyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836575
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
N-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]hexanamide
CID 70058532
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol
CID 171935752
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol
CID 78933445
1-(2-chloroethyl)pyrrolidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;1-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]pyrrolidine
CID 159754796

Frequently Asked Questions

What is the IUPAC name of 4-[N-hexyl-4-(2-pyrrolidin-1-ylethoxy)anilino]phenol?
The IUPAC name of 4-[N-hexyl-4-(2-pyrrolidin-1-ylethoxy)anilino]phenol (CID 118727021) is 4-[N-hexyl-4-(2-pyrrolidin-1-ylethoxy)anilino]phenol.
What is the SMILES notation for 4-[N-hexyl-4-(2-pyrrolidin-1-ylethoxy)anilino]phenol?
The canonical SMILES for 4-[N-hexyl-4-(2-pyrrolidin-1-ylethoxy)anilino]phenol is CCCCCCN(c1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of 4-[N-hexyl-4-(2-pyrrolidin-1-ylethoxy)anilino]phenol?
The InChIKey is CCMYVPIPOLLDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-2-3-4-5-18-26(21-8-12-23(27)13-9-21)22-10-14-24(15-11-22)28-20-19-25-16-6-7-17-25/h8-15,27H,2-7,16-20H2,1H3.
What are the key properties of 4-[N-hexyl-4-(2-pyrrolidin-1-ylethoxy)anilino]phenol?
4-[N-hexyl-4-(2-pyrrolidin-1-ylethoxy)anilino]phenol has a molecular weight of 382.55 g/mol, XLogP of 5.59, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-hexyl-4-(2-pyrrolidin-1-ylethoxy)anilino]phenol is sourced from PubChem (CID 118727021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).