[3-[(3,5-dimethoxy-4-pentoxyphenyl)methylamino]phenyl]methanol

C21H29NO4 — CID 10361113

IUPAC[3-[(3,5-dimethoxy-4-pentoxyphenyl)methylamino]phenyl]methanol
SMILESCCCCCOc1c(OC)cc(CNc2cccc(CO)c2)cc1OC
InChIInChI=1S/C21H29NO4/c1-4-5-6-10-26-21-19(24-2)12-17(13-20(21)25-3)14-22-18-9-7-8-16(11-18)15-23/h7-9,11-13,22-23H,4-6,10,14-15H2,1-3H3
InChIKeyYEAORWZTMQMJIS-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.38
Rot. Bonds11

About [3-[(3,5-dimethoxy-4-pentoxyphenyl)methylamino]phenyl]methanol

[3-[(3,5-dimethoxy-4-pentoxyphenyl)methylamino]phenyl]methanol (PubChem CID 10361113) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is [3-[(3,5-dimethoxy-4-pentoxyphenyl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[(3,5-dimethoxy-4-pentoxyphenyl)methylamino]phenyl]methanol
PubChem CID10361113
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC Name[3-[(3,5-dimethoxy-4-pentoxyphenyl)methylamino]phenyl]methanol
SMILESCCCCCOc1c(OC)cc(CNc2cccc(CO)c2)cc1OC
InChIInChI=1S/C21H29NO4/c1-4-5-6-10-26-21-19(24-2)12-17(13-20(21)25-3)14-22-18-9-7-8-16(11-18)15-23/h7-9,11-13,22-23H,4-6,10,14-15H2,1-3H3
InChIKeyYEAORWZTMQMJIS-UHFFFAOYSA-N
XLogP4.38
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-heptoxy-3,5-dimethoxyphenyl)methanol
CID 43516772
[3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]phenyl]methanol
CID 115686476
N-[3-(hydroxymethyl)phenyl]-4-methoxy-3-tetradecoxybenzamide
CID 10050364
(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684
N-[(3-butoxyphenyl)methyl]-3-heptoxyaniline
CID 54802329
[3-[(4-amino-3-methoxyanilino)methyl]phenyl]methanol
CID 107231702
3-heptoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54802344
N-[(3-butoxyphenyl)methyl]-3-methoxyaniline
CID 39386916
[3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol
CID 43516716
(3-methoxy-2-nonoxyphenyl)methanol
CID 43471510
4-hexoxy-3,5-dimethoxyphenol
CID 10244041
[3-[2-(4-methoxyphenoxy)ethylamino]phenyl]methanol
CID 110880288

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dimethoxy-4-pentoxyphenyl)methylamino]phenyl]methanol?
The IUPAC name of [3-[(3,5-dimethoxy-4-pentoxyphenyl)methylamino]phenyl]methanol (CID 10361113) is [3-[(3,5-dimethoxy-4-pentoxyphenyl)methylamino]phenyl]methanol.
What is the SMILES notation for [3-[(3,5-dimethoxy-4-pentoxyphenyl)methylamino]phenyl]methanol?
The canonical SMILES for [3-[(3,5-dimethoxy-4-pentoxyphenyl)methylamino]phenyl]methanol is CCCCCOc1c(OC)cc(CNc2cccc(CO)c2)cc1OC.
What is the InChIKey of [3-[(3,5-dimethoxy-4-pentoxyphenyl)methylamino]phenyl]methanol?
The InChIKey is YEAORWZTMQMJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4/c1-4-5-6-10-26-21-19(24-2)12-17(13-20(21)25-3)14-22-18-9-7-8-16(11-18)15-23/h7-9,11-13,22-23H,4-6,10,14-15H2,1-3H3.
What are the key properties of [3-[(3,5-dimethoxy-4-pentoxyphenyl)methylamino]phenyl]methanol?
[3-[(3,5-dimethoxy-4-pentoxyphenyl)methylamino]phenyl]methanol has a molecular weight of 359.47 g/mol, XLogP of 4.38, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-dimethoxy-4-pentoxyphenyl)methylamino]phenyl]methanol is sourced from PubChem (CID 10361113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).