2-[6-[(4-methoxyphenyl)methylamino]hexylamino]ethanol

C16H28N2O2 — CID 22006364

IUPAC2-[6-[(4-methoxyphenyl)methylamino]hexylamino]ethanol
SMILESCOc1ccc(CNCCCCCCNCCO)cc1
InChIInChI=1S/C16H28N2O2/c1-20-16-8-6-15(7-9-16)14-18-11-5-3-2-4-10-17-12-13-19/h6-9,17-19H,2-5,10-14H2,1H3
InChIKeyZPQNNKQBDSEQQS-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.93
Rot. Bonds12

About 2-[6-[(4-methoxyphenyl)methylamino]hexylamino]ethanol

2-[6-[(4-methoxyphenyl)methylamino]hexylamino]ethanol (PubChem CID 22006364) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[6-[(4-methoxyphenyl)methylamino]hexylamino]ethanol.

Molecular Properties

Compound Name2-[6-[(4-methoxyphenyl)methylamino]hexylamino]ethanol
PubChem CID22006364
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-[6-[(4-methoxyphenyl)methylamino]hexylamino]ethanol
SMILESCOc1ccc(CNCCCCCCNCCO)cc1
InChIInChI=1S/C16H28N2O2/c1-20-16-8-6-15(7-9-16)14-18-11-5-3-2-4-10-17-12-13-19/h6-9,17-19H,2-5,10-14H2,1H3
InChIKeyZPQNNKQBDSEQQS-UHFFFAOYSA-N
XLogP1.93
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17292349
5-iodo-N-[(4-methoxyphenyl)methyl]pentan-1-amine
CID 107319994
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
5-[(4-methoxyphenyl)methylamino]pentan-2-one
CID 115236436
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
2-[(4-methoxyphenyl)methylamino]ethanethiol
CID 14306201
2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride
CID 17213255
N-methyl-N'-[4-[[4-[[4-[4-(methylamino)butylamino]butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine
CID 71765356
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
3-[(4-ethoxyphenyl)methylamino]propan-1-ol
CID 7991761
N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
CID 43089137
3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 4789471

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-methoxyphenyl)methylamino]hexylamino]ethanol?
The IUPAC name of 2-[6-[(4-methoxyphenyl)methylamino]hexylamino]ethanol (CID 22006364) is 2-[6-[(4-methoxyphenyl)methylamino]hexylamino]ethanol.
What is the SMILES notation for 2-[6-[(4-methoxyphenyl)methylamino]hexylamino]ethanol?
The canonical SMILES for 2-[6-[(4-methoxyphenyl)methylamino]hexylamino]ethanol is COc1ccc(CNCCCCCCNCCO)cc1.
What is the InChIKey of 2-[6-[(4-methoxyphenyl)methylamino]hexylamino]ethanol?
The InChIKey is ZPQNNKQBDSEQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-20-16-8-6-15(7-9-16)14-18-11-5-3-2-4-10-17-12-13-19/h6-9,17-19H,2-5,10-14H2,1H3.
What are the key properties of 2-[6-[(4-methoxyphenyl)methylamino]hexylamino]ethanol?
2-[6-[(4-methoxyphenyl)methylamino]hexylamino]ethanol has a molecular weight of 280.41 g/mol, XLogP of 1.93, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-methoxyphenyl)methylamino]hexylamino]ethanol is sourced from PubChem (CID 22006364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).