5-[[(5-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol

C14H23NO3 — CID 113340286

IUPAC5-[[(5-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNCCCC(C)CO)cc1O
InChIInChI=1S/C14H23NO3/c1-11(10-16)4-3-7-15-9-12-5-6-14(18-2)13(17)8-12/h5-6,8,11,15-17H,3-4,7,9-10H2,1-2H3
InChIKeyCFUKKHLARUZYAR-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.90
Rot. Bonds8

About 5-[[(5-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol

5-[[(5-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol (PubChem CID 113340286) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 5-[[(5-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[(5-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol
PubChem CID113340286
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name5-[[(5-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNCCCC(C)CO)cc1O
InChIInChI=1S/C14H23NO3/c1-11(10-16)4-3-7-15-9-12-5-6-14(18-2)13(17)8-12/h5-6,8,11,15-17H,3-4,7,9-10H2,1-2H3
InChIKeyCFUKKHLARUZYAR-UHFFFAOYSA-N
XLogP1.90
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.90
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

5-[(3,5-dimethoxyphenyl)methylamino]-2-methylpentan-1-ol
CID 103859647
2-methyl-5-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol
CID 103859360
5-[(3-bromo-4-methylphenyl)methylamino]-2-methylpentan-1-ol
CID 113344574
5-[(3-chloro-4-methylphenyl)methylamino]-2-methylpentan-1-ol
CID 106833862
5-[(4-fluoro-3-methylphenyl)methylamino]-2-methylpentan-1-ol
CID 113340247
N-[(3-bromo-4-methoxyphenyl)methyl]-5-chloro-4-methylpentan-1-amine
CID 106153556
N'-hydroxy-3-[[(5-hydroxy-4-methylpentyl)amino]methyl]-4-methoxybenzenecarboximidamide
CID 106161740
5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxyphenol
CID 111421897
3-[(4-methoxy-3-propan-2-ylphenyl)methylamino]propan-1-ol
CID 94687238
4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]pentan-1-amine
CID 106121926
2-methoxy-5-[[[(E)-pent-3-enyl]amino]methyl]phenol
CID 115629089
5-[(3-bromophenyl)methylamino]-2-methylpentan-1-ol
CID 103859555

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[(5-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol (CID 113340286) is 5-[[(5-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[(5-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[(5-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol is COc1ccc(CNCCCC(C)CO)cc1O.
What is the InChIKey of 5-[[(5-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol?
The InChIKey is CFUKKHLARUZYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11(10-16)4-3-7-15-9-12-5-6-14(18-2)13(17)8-12/h5-6,8,11,15-17H,3-4,7,9-10H2,1-2H3.
What are the key properties of 5-[[(5-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol?
5-[[(5-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol has a molecular weight of 253.34 g/mol, XLogP of 1.90, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 113340286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).