6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]oxyhexan-1-ol

C27H33NO4 — CID 101065100

IUPAC6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]oxyhexan-1-ol
SMILESCOc1ccc(C(NOCCCCCCO)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H33NO4/c1-30-25-16-12-23(13-17-25)27(22-10-6-5-7-11-22,24-14-18-26(31-2)19-15-24)28-32-21-9-4-3-8-20-29/h5-7,10-19,28-29H,3-4,8-9,20-21H2,1-2H3
InChIKeyQFFYVDRIMDCGKE-UHFFFAOYSA-N
MW435.56 g/mol
LogP5.07
Rot. Bonds13

About 6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]oxyhexan-1-ol

6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]oxyhexan-1-ol (PubChem CID 101065100) has the molecular formula C27H33NO4 and a molecular weight of 435.56 g/mol. Its IUPAC name is 6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]oxyhexan-1-ol.

Molecular Properties

Compound Name6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]oxyhexan-1-ol
PubChem CID101065100
Molecular FormulaC27H33NO4
Molecular Weight435.56 g/mol
Exact Mass435.24
IUPAC Name6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]oxyhexan-1-ol
SMILESCOc1ccc(C(NOCCCCCCO)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H33NO4/c1-30-25-16-12-23(13-17-25)27(22-10-6-5-7-11-22,24-14-18-26(31-2)19-15-24)28-32-21-9-4-3-8-20-29/h5-7,10-19,28-29H,3-4,8-9,20-21H2,1-2H3
InChIKeyQFFYVDRIMDCGKE-UHFFFAOYSA-N
XLogP5.07
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.56
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-[[di(propan-2-yl)amino]-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxyhexoxy]phosphanyl]oxypropanenitrile
CID 15451528
1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol
CID 10579918
N-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-9-hydroxy-4-oxononanamide
CID 158860179
N-benzyl-1,1-bis(4-methoxyphenyl)-1-phenylmethan(15N)amine
CID 11795851
1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 101094688
6-[[(4-methoxyphenyl)-(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]amino]hexan-1-ol
CID 163823196
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
CID 57357526
4-[[(4-methoxyphenyl)-diphenylmethyl]amino]benzoic acid
CID 13008997
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713
2-(4-methoxyphenyl)-2-phenylpropanenitrile
CID 175950796
11-[4-[1,1-bis[4-(11-hydroxyundecoxy)phenyl]ethyl]phenoxy]undecan-1-ol
CID 102322875

Frequently Asked Questions

What is the IUPAC name of 6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]oxyhexan-1-ol?
The IUPAC name of 6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]oxyhexan-1-ol (CID 101065100) is 6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]oxyhexan-1-ol.
What is the SMILES notation for 6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]oxyhexan-1-ol?
The canonical SMILES for 6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]oxyhexan-1-ol is COc1ccc(C(NOCCCCCCO)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]oxyhexan-1-ol?
The InChIKey is QFFYVDRIMDCGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO4/c1-30-25-16-12-23(13-17-25)27(22-10-6-5-7-11-22,24-14-18-26(31-2)19-15-24)28-32-21-9-4-3-8-20-29/h5-7,10-19,28-29H,3-4,8-9,20-21H2,1-2H3.
What are the key properties of 6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]oxyhexan-1-ol?
6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]oxyhexan-1-ol has a molecular weight of 435.56 g/mol, XLogP of 5.07, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]oxyhexan-1-ol is sourced from PubChem (CID 101065100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).