6-[[(4-methoxyphenyl)-(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]amino]hexan-1-ol

C27H35NO2 — CID 163823196

IUPAC6-[[(4-methoxyphenyl)-(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]amino]hexan-1-ol
SMILESCOc1ccc(C(NCCCCCCO)(c2ccccc2)C2C=CC=CC2C)cc1
InChIInChI=1S/C27H35NO2/c1-22-12-8-9-15-26(22)27(23-13-6-5-7-14-23,28-20-10-3-4-11-21-29)24-16-18-25(30-2)19-17-24/h5-9,12-19,22,26,28-29H,3-4,10-11,20-21H2,1-2H3
InChIKeyNXEQPJAPMJTPQP-UHFFFAOYSA-N
MW405.58 g/mol
LogP5.46
Rot. Bonds11

About 6-[[(4-methoxyphenyl)-(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]amino]hexan-1-ol

6-[[(4-methoxyphenyl)-(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]amino]hexan-1-ol (PubChem CID 163823196) has the molecular formula C27H35NO2 and a molecular weight of 405.58 g/mol. Its IUPAC name is 6-[[(4-methoxyphenyl)-(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[(4-methoxyphenyl)-(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]amino]hexan-1-ol
PubChem CID163823196
Molecular FormulaC27H35NO2
Molecular Weight405.58 g/mol
Exact Mass405.27
IUPAC Name6-[[(4-methoxyphenyl)-(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]amino]hexan-1-ol
SMILESCOc1ccc(C(NCCCCCCO)(c2ccccc2)C2C=CC=CC2C)cc1
InChIInChI=1S/C27H35NO2/c1-22-12-8-9-15-26(22)27(23-13-6-5-7-14-23,28-20-10-3-4-11-21-29)24-16-18-25(30-2)19-17-24/h5-9,12-19,22,26,28-29H,3-4,10-11,20-21H2,1-2H3
InChIKeyNXEQPJAPMJTPQP-UHFFFAOYSA-N
XLogP5.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.58
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[[(4-methoxyphenyl)-(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]amino]hexan-1-ol with MolForge

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Related Compounds

6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]oxyhexan-1-ol
CID 101065100
2-[bis(4-methoxyphenyl)-phenylmethyl]-2-(butylamino)propane-1,3-diol
CID 70653645
N-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-9-hydroxy-4-oxononanamide
CID 158860179
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol
CID 10579918
1-(6-hydroxyhexyl)-3-(4-methoxyphenyl)urea
CID 103918690
4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]butan-1-ol;hydrochloride
CID 54602354
N-benzyl-1,1-bis(4-methoxyphenyl)-1-phenylmethan(15N)amine
CID 11795851
5-[5-hydroxy-2-(3-methoxyphenyl)-2-phenylpentoxy]-4-(3-methoxyphenyl)-4-phenylpentan-1-ol
CID 70528603
2-bromo-2-[(4-methoxyphenyl)-diphenylmethoxy]ethanol
CID 66776928
4-[3-[2-[2-[3-[[(4-methoxyphenyl)-diphenylmethyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid
CID 15218076
N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 107318867

Frequently Asked Questions

What is the IUPAC name of 6-[[(4-methoxyphenyl)-(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]amino]hexan-1-ol?
The IUPAC name of 6-[[(4-methoxyphenyl)-(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]amino]hexan-1-ol (CID 163823196) is 6-[[(4-methoxyphenyl)-(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[(4-methoxyphenyl)-(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]amino]hexan-1-ol?
The canonical SMILES for 6-[[(4-methoxyphenyl)-(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]amino]hexan-1-ol is COc1ccc(C(NCCCCCCO)(c2ccccc2)C2C=CC=CC2C)cc1.
What is the InChIKey of 6-[[(4-methoxyphenyl)-(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]amino]hexan-1-ol?
The InChIKey is NXEQPJAPMJTPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35NO2/c1-22-12-8-9-15-26(22)27(23-13-6-5-7-14-23,28-20-10-3-4-11-21-29)24-16-18-25(30-2)19-17-24/h5-9,12-19,22,26,28-29H,3-4,10-11,20-21H2,1-2H3.
What are the key properties of 6-[[(4-methoxyphenyl)-(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]amino]hexan-1-ol?
6-[[(4-methoxyphenyl)-(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]amino]hexan-1-ol has a molecular weight of 405.58 g/mol, XLogP of 5.46, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4-methoxyphenyl)-(6-methylcyclohexa-2,4-dien-1-yl)-phenylmethyl]amino]hexan-1-ol is sourced from PubChem (CID 163823196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).