2-[[ethyl(2-ethylbutyl)amino]methyl]-6-methoxyphenol

C16H27NO2 — CID 82978769

IUPAC2-[[ethyl(2-ethylbutyl)amino]methyl]-6-methoxyphenol
SMILESCCC(CC)CN(CC)Cc1cccc(OC)c1O
InChIInChI=1S/C16H27NO2/c1-5-13(6-2)11-17(7-3)12-14-9-8-10-15(19-4)16(14)18/h8-10,13,18H,5-7,11-12H2,1-4H3
InChIKeyCRVDBCHQRYNCKH-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.66
Rot. Bonds8

About 2-[[ethyl(2-ethylbutyl)amino]methyl]-6-methoxyphenol

2-[[ethyl(2-ethylbutyl)amino]methyl]-6-methoxyphenol (PubChem CID 82978769) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[[ethyl(2-ethylbutyl)amino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[ethyl(2-ethylbutyl)amino]methyl]-6-methoxyphenol
PubChem CID82978769
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[[ethyl(2-ethylbutyl)amino]methyl]-6-methoxyphenol
SMILESCCC(CC)CN(CC)Cc1cccc(OC)c1O
InChIInChI=1S/C16H27NO2/c1-5-13(6-2)11-17(7-3)12-14-9-8-10-15(19-4)16(14)18/h8-10,13,18H,5-7,11-12H2,1-4H3
InChIKeyCRVDBCHQRYNCKH-UHFFFAOYSA-N
XLogP3.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol
CID 102999106
ethane;2-methoxy-6-propylphenol
CID 142869062
2-[2-(dimethylamino)ethyl-[(2-hydroxy-3-methoxyphenyl)methyl]amino]acetic acid
CID 107426429
N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine
CID 4658188
2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol
CID 82977158
2-amino-6-[[ethyl(2-ethylbutyl)amino]methyl]benzoic acid
CID 104824377
2-methoxy-6-(phosphanylmethyl)phenol
CID 155024507
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol
CID 79115913
2-methoxy-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
CID 82983294
2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid
CID 65056423
2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol
CID 82974737
2-[[4-(diethylaminomethyl)phenyl]methyliminomethyl]-6-methoxyphenol
CID 135855331

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-ethylbutyl)amino]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[ethyl(2-ethylbutyl)amino]methyl]-6-methoxyphenol (CID 82978769) is 2-[[ethyl(2-ethylbutyl)amino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[ethyl(2-ethylbutyl)amino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[ethyl(2-ethylbutyl)amino]methyl]-6-methoxyphenol is CCC(CC)CN(CC)Cc1cccc(OC)c1O.
What is the InChIKey of 2-[[ethyl(2-ethylbutyl)amino]methyl]-6-methoxyphenol?
The InChIKey is CRVDBCHQRYNCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-13(6-2)11-17(7-3)12-14-9-8-10-15(19-4)16(14)18/h8-10,13,18H,5-7,11-12H2,1-4H3.
What are the key properties of 2-[[ethyl(2-ethylbutyl)amino]methyl]-6-methoxyphenol?
2-[[ethyl(2-ethylbutyl)amino]methyl]-6-methoxyphenol has a molecular weight of 265.40 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-ethylbutyl)amino]methyl]-6-methoxyphenol is sourced from PubChem (CID 82978769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).