2-[3-methoxy-4-(5-phenylpentoxy)anilino]ethanol

C20H27NO3 — CID 3028280

IUPAC2-[3-methoxy-4-(5-phenylpentoxy)anilino]ethanol
SMILESCOc1cc(NCCO)ccc1OCCCCCc1ccccc1
InChIInChI=1S/C20H27NO3/c1-23-20-16-18(21-13-14-22)11-12-19(20)24-15-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,11-12,16,21-22H,3,6-7,10,13-15H2,1H3
InChIKeyKSOCLGIFZCEXAS-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.89
Rot. Bonds11

About 2-[3-methoxy-4-(5-phenylpentoxy)anilino]ethanol

2-[3-methoxy-4-(5-phenylpentoxy)anilino]ethanol (PubChem CID 3028280) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[3-methoxy-4-(5-phenylpentoxy)anilino]ethanol.

Molecular Properties

Compound Name2-[3-methoxy-4-(5-phenylpentoxy)anilino]ethanol
PubChem CID3028280
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-[3-methoxy-4-(5-phenylpentoxy)anilino]ethanol
SMILESCOc1cc(NCCO)ccc1OCCCCCc1ccccc1
InChIInChI=1S/C20H27NO3/c1-23-20-16-18(21-13-14-22)11-12-19(20)24-15-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,11-12,16,21-22H,3,6-7,10,13-15H2,1H3
InChIKeyKSOCLGIFZCEXAS-UHFFFAOYSA-N
XLogP3.89
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-Dimethoxy-N-(4-methoxyphenyl)benzylamine
CID 784220
3-(4-Ethoxyanilino)-1-(4-fluorophenyl)-1-propanol
CID 3427706
N-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-N'-(2-phenylethyl)ethane-1,2-diamide
CID 3154023
N-(4-Methoxybenzyl)-3,5-trimethoxyaniline
CID 364712
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(4-ethylphenyl)acrylamide
CID 9191541
3-(4-butylphenyl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acrylamide
CID 11336651
1-(3,4-Dimethoxyphenyl)-3-m-tolylpiperidin-4-amine
CID 11617492
(R,S/S,R)-syn-1-((3-methoxyphenyl)(methyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897487
(R,S/S,R)-syn-1-((4-methoxyphenyl)(methyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 42629242
(S)-1-(4-methoxy-3-((4-methylpentyl)oxy)phenyl)-3-(1-phenylethyl)urea
CID 57384050
5-Ethyl-2-[2-fluoro-4-(3-hydroxy-propylamino)-phenoxy]-phenol
CID 59191344
1-(2-hydroxyethyl)-3-[4-methoxy-3-(4-methylpentoxy)phenyl]-1-[(1S)-1-phenylethyl]urea
CID 71450410

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(5-phenylpentoxy)anilino]ethanol?
The IUPAC name of 2-[3-methoxy-4-(5-phenylpentoxy)anilino]ethanol (CID 3028280) is 2-[3-methoxy-4-(5-phenylpentoxy)anilino]ethanol.
What is the SMILES notation for 2-[3-methoxy-4-(5-phenylpentoxy)anilino]ethanol?
The canonical SMILES for 2-[3-methoxy-4-(5-phenylpentoxy)anilino]ethanol is COc1cc(NCCO)ccc1OCCCCCc1ccccc1.
What is the InChIKey of 2-[3-methoxy-4-(5-phenylpentoxy)anilino]ethanol?
The InChIKey is KSOCLGIFZCEXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-23-20-16-18(21-13-14-22)11-12-19(20)24-15-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,11-12,16,21-22H,3,6-7,10,13-15H2,1H3.
What are the key properties of 2-[3-methoxy-4-(5-phenylpentoxy)anilino]ethanol?
2-[3-methoxy-4-(5-phenylpentoxy)anilino]ethanol has a molecular weight of 329.44 g/mol, XLogP of 3.89, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(5-phenylpentoxy)anilino]ethanol is sourced from PubChem (CID 3028280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).