5-[(2-ethylbutylamino)methyl]-2-methoxyphenol

C14H23NO2 — CID 83295597

IUPAC5-[(2-ethylbutylamino)methyl]-2-methoxyphenol
SMILESCCC(CC)CNCc1ccc(OC)c(O)c1
InChIInChI=1S/C14H23NO2/c1-4-11(5-2)9-15-10-12-6-7-14(17-3)13(16)8-12/h6-8,11,15-16H,4-5,9-10H2,1-3H3
InChIKeyDHGJALZDQUYRCG-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.93
Rot. Bonds7

About 5-[(2-ethylbutylamino)methyl]-2-methoxyphenol

5-[(2-ethylbutylamino)methyl]-2-methoxyphenol (PubChem CID 83295597) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 5-[(2-ethylbutylamino)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(2-ethylbutylamino)methyl]-2-methoxyphenol
PubChem CID83295597
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name5-[(2-ethylbutylamino)methyl]-2-methoxyphenol
SMILESCCC(CC)CNCc1ccc(OC)c(O)c1
InChIInChI=1S/C14H23NO2/c1-4-11(5-2)9-15-10-12-6-7-14(17-3)13(16)8-12/h6-8,11,15-16H,4-5,9-10H2,1-3H3
InChIKeyDHGJALZDQUYRCG-UHFFFAOYSA-N
XLogP2.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxyphenol
CID 111421897
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine
CID 115581156
5-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-2-methoxyphenol
CID 111104775
5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol
CID 94803138
1-[(3,4-dimethoxyphenyl)methylamino]butan-2-ol
CID 60886428
1-N-[(3,4-dimethoxyphenyl)methyl]butane-1,2-diamine
CID 83957273
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine
CID 62691785
5-[[[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]amino]methyl]-2-methoxyphenol
CID 95260955
2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol
CID 103735804
2-methoxy-5-[[[(E)-pent-3-enyl]amino]methyl]phenol
CID 115629089
3-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-methylpropane-1,2-diol
CID 66168561
N-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methylacetamide
CID 104923410

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylbutylamino)methyl]-2-methoxyphenol?
The IUPAC name of 5-[(2-ethylbutylamino)methyl]-2-methoxyphenol (CID 83295597) is 5-[(2-ethylbutylamino)methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(2-ethylbutylamino)methyl]-2-methoxyphenol?
The canonical SMILES for 5-[(2-ethylbutylamino)methyl]-2-methoxyphenol is CCC(CC)CNCc1ccc(OC)c(O)c1.
What is the InChIKey of 5-[(2-ethylbutylamino)methyl]-2-methoxyphenol?
The InChIKey is DHGJALZDQUYRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-11(5-2)9-15-10-12-6-7-14(17-3)13(16)8-12/h6-8,11,15-16H,4-5,9-10H2,1-3H3.
What are the key properties of 5-[(2-ethylbutylamino)methyl]-2-methoxyphenol?
5-[(2-ethylbutylamino)methyl]-2-methoxyphenol has a molecular weight of 237.34 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylbutylamino)methyl]-2-methoxyphenol is sourced from PubChem (CID 83295597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).