2-(butylamino)-4-methoxyphenol

C11H17NO2 — CID 57058313

IUPAC2-(butylamino)-4-methoxyphenol
SMILESCCCCNc1cc(OC)ccc1O
InChIInChI=1S/C11H17NO2/c1-3-4-7-12-10-8-9(14-2)5-6-11(10)13/h5-6,8,12-13H,3-4,7H2,1-2H3
InChIKeyGMGJDDJNTGMXCU-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.61
Rot. Bonds5

About 2-(butylamino)-4-methoxyphenol

2-(butylamino)-4-methoxyphenol (PubChem CID 57058313) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(butylamino)-4-methoxyphenol.

Molecular Properties

Compound Name2-(butylamino)-4-methoxyphenol
PubChem CID57058313
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-(butylamino)-4-methoxyphenol
SMILESCCCCNc1cc(OC)ccc1O
InChIInChI=1S/C11H17NO2/c1-3-4-7-12-10-8-9(14-2)5-6-11(10)13/h5-6,8,12-13H,3-4,7H2,1-2H3
InChIKeyGMGJDDJNTGMXCU-UHFFFAOYSA-N
XLogP2.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxy-N-pentylaniline
CID 28570496
4-methoxy-2-(pentylamino)benzenecarbothioamide
CID 81305642
4-methoxy-2-methyl-N-nonylaniline
CID 63492120
2-(hexadecylamino)phenol
CID 154256819
4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine
CID 134239209
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995
(2S)-2-amino-N-(2-hydroxy-5-methoxyphenyl)pentanamide
CID 107570852
4-methoxy-2-(3-propoxypropylamino)benzoic acid
CID 82947075
2-[(2-ethylanilino)methyl]-4-methoxyphenol
CID 28617814
tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)carbamoyl]-2-methylbutyl]carbamate
CID 71912014
4-ethyl-2-(propylamino)phenol
CID 141451403
5-methoxy-2-(propylamino)benzoic acid
CID 54594237

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-4-methoxyphenol?
The IUPAC name of 2-(butylamino)-4-methoxyphenol (CID 57058313) is 2-(butylamino)-4-methoxyphenol.
What is the SMILES notation for 2-(butylamino)-4-methoxyphenol?
The canonical SMILES for 2-(butylamino)-4-methoxyphenol is CCCCNc1cc(OC)ccc1O.
What is the InChIKey of 2-(butylamino)-4-methoxyphenol?
The InChIKey is GMGJDDJNTGMXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-4-7-12-10-8-9(14-2)5-6-11(10)13/h5-6,8,12-13H,3-4,7H2,1-2H3.
What are the key properties of 2-(butylamino)-4-methoxyphenol?
2-(butylamino)-4-methoxyphenol has a molecular weight of 195.26 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-4-methoxyphenol is sourced from PubChem (CID 57058313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).