2-[[2-(2-hydroxyethyl)pentylamino]methyl]-4,5-dimethylphenol

C16H27NO2 — CID 111470622

IUPAC2-[[2-(2-hydroxyethyl)pentylamino]methyl]-4,5-dimethylphenol
SMILESCCCC(CCO)CNCc1cc(C)c(C)cc1O
InChIInChI=1S/C16H27NO2/c1-4-5-14(6-7-18)10-17-11-15-8-12(2)13(3)9-16(15)19/h8-9,14,17-19H,4-7,10-11H2,1-3H3
InChIKeyIOLHIJASRHJLIR-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.90
Rot. Bonds8

About 2-[[2-(2-hydroxyethyl)pentylamino]methyl]-4,5-dimethylphenol

2-[[2-(2-hydroxyethyl)pentylamino]methyl]-4,5-dimethylphenol (PubChem CID 111470622) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[[2-(2-hydroxyethyl)pentylamino]methyl]-4,5-dimethylphenol.

Molecular Properties

Compound Name2-[[2-(2-hydroxyethyl)pentylamino]methyl]-4,5-dimethylphenol
PubChem CID111470622
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[[2-(2-hydroxyethyl)pentylamino]methyl]-4,5-dimethylphenol
SMILESCCCC(CCO)CNCc1cc(C)c(C)cc1O
InChIInChI=1S/C16H27NO2/c1-4-5-14(6-7-18)10-17-11-15-8-12(2)13(3)9-16(15)19/h8-9,14,17-19H,4-7,10-11H2,1-3H3
InChIKeyIOLHIJASRHJLIR-UHFFFAOYSA-N
XLogP2.90
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol
CID 103707961
4-[[2-(2-hydroxyethyl)pentylamino]methyl]benzene-1,2,3-triol
CID 103953592
2-[[(3-hydroxy-2-methylpropyl)amino]methyl]-4,5-dimethylphenol
CID 111466490
3-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]hexan-1-ol
CID 103707845
3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol
CID 103707783
2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol
CID 114145275
3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]hexan-1-ol
CID 106115405
3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol
CID 104938136
3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol
CID 111470613
3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol
CID 111470632
3-[(1-benzofuran-3-ylmethylamino)methyl]hexan-1-ol
CID 103826324
3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]hexan-1-ol
CID 111470620

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-hydroxyethyl)pentylamino]methyl]-4,5-dimethylphenol?
The IUPAC name of 2-[[2-(2-hydroxyethyl)pentylamino]methyl]-4,5-dimethylphenol (CID 111470622) is 2-[[2-(2-hydroxyethyl)pentylamino]methyl]-4,5-dimethylphenol.
What is the SMILES notation for 2-[[2-(2-hydroxyethyl)pentylamino]methyl]-4,5-dimethylphenol?
The canonical SMILES for 2-[[2-(2-hydroxyethyl)pentylamino]methyl]-4,5-dimethylphenol is CCCC(CCO)CNCc1cc(C)c(C)cc1O.
What is the InChIKey of 2-[[2-(2-hydroxyethyl)pentylamino]methyl]-4,5-dimethylphenol?
The InChIKey is IOLHIJASRHJLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-5-14(6-7-18)10-17-11-15-8-12(2)13(3)9-16(15)19/h8-9,14,17-19H,4-7,10-11H2,1-3H3.
What are the key properties of 2-[[2-(2-hydroxyethyl)pentylamino]methyl]-4,5-dimethylphenol?
2-[[2-(2-hydroxyethyl)pentylamino]methyl]-4,5-dimethylphenol has a molecular weight of 265.40 g/mol, XLogP of 2.90, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-hydroxyethyl)pentylamino]methyl]-4,5-dimethylphenol is sourced from PubChem (CID 111470622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).