6-(anthracen-9-ylmethylamino)hexan-1-ol

C21H25NO — CID 11404042

IUPAC6-(anthracen-9-ylmethylamino)hexan-1-ol
SMILESOCCCCCCNCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C21H25NO/c23-14-8-2-1-7-13-22-16-21-19-11-5-3-9-17(19)15-18-10-4-6-12-20(18)21/h3-6,9-12,15,22-23H,1-2,7-8,13-14,16H2
InChIKeyWVSCUTZNLRHZCP-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.64
Rot. Bonds8

About 6-(anthracen-9-ylmethylamino)hexan-1-ol

6-(anthracen-9-ylmethylamino)hexan-1-ol (PubChem CID 11404042) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 6-(anthracen-9-ylmethylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(anthracen-9-ylmethylamino)hexan-1-ol
PubChem CID11404042
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name6-(anthracen-9-ylmethylamino)hexan-1-ol
SMILESOCCCCCCNCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C21H25NO/c23-14-8-2-1-7-13-22-16-21-19-11-5-3-9-17(19)15-18-10-4-6-12-20(18)21/h3-6,9-12,15,22-23H,1-2,7-8,13-14,16H2
InChIKeyWVSCUTZNLRHZCP-UHFFFAOYSA-N
XLogP4.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(anthracen-9-ylmethyl)dodecan-1-amine
CID 101083896
N-(3-aminopropyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine
CID 11826638
N'-(anthracen-9-ylmethyl)butane-1,4-diamine
CID 11208207
N'-[3-(anthracen-9-ylmethylamino)propyl]-N-ethylbutane-1,4-diamine
CID 44561364
N'-[4-[3-(anthracen-9-ylmethylamino)propylamino]butyl]butane-1,4-diamine
CID 11731344
N,N'-bis[(2,3-dimethoxynaphthalen-1-yl)methyl]hexane-1,6-diamine
CID 44531707
6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol
CID 103924069
5-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]pentan-1-ol;hydrochloride
CID 17211551
N,N'-bis[(2,3-dimethoxynaphthalen-1-yl)methyl]hexane-1,6-diamine;methanesulfonic acid
CID 44531706
1-[(octylamino)methyl]naphthalen-2-ol
CID 44531481
2-[(6-hydroxyhexylamino)methyl]phenol
CID 82678109
5-[4-(benzylamino)butylamino]pentan-1-ol
CID 22006369

Frequently Asked Questions

What is the IUPAC name of 6-(anthracen-9-ylmethylamino)hexan-1-ol?
The IUPAC name of 6-(anthracen-9-ylmethylamino)hexan-1-ol (CID 11404042) is 6-(anthracen-9-ylmethylamino)hexan-1-ol.
What is the SMILES notation for 6-(anthracen-9-ylmethylamino)hexan-1-ol?
The canonical SMILES for 6-(anthracen-9-ylmethylamino)hexan-1-ol is OCCCCCCNCc1c2ccccc2cc2ccccc12.
What is the InChIKey of 6-(anthracen-9-ylmethylamino)hexan-1-ol?
The InChIKey is WVSCUTZNLRHZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c23-14-8-2-1-7-13-22-16-21-19-11-5-3-9-17(19)15-18-10-4-6-12-20(18)21/h3-6,9-12,15,22-23H,1-2,7-8,13-14,16H2.
What are the key properties of 6-(anthracen-9-ylmethylamino)hexan-1-ol?
6-(anthracen-9-ylmethylamino)hexan-1-ol has a molecular weight of 307.44 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(anthracen-9-ylmethylamino)hexan-1-ol is sourced from PubChem (CID 11404042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).