4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]phenol

C14H24N2O — CID 113357824

IUPAC4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]phenol
SMILESCCC(C)N(C)CCNCc1ccc(O)cc1
InChIInChI=1S/C14H24N2O/c1-4-12(2)16(3)10-9-15-11-13-5-7-14(17)8-6-13/h5-8,12,15,17H,4,9-11H2,1-3H3
InChIKeyOAJUPOMTFMKZTH-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.21
Rot. Bonds7

About 4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]phenol

4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]phenol (PubChem CID 113357824) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]phenol
PubChem CID113357824
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]phenol
SMILESCCC(C)N(C)CCNCc1ccc(O)cc1
InChIInChI=1S/C14H24N2O/c1-4-12(2)16(3)10-9-15-11-13-5-7-14(17)8-6-13/h5-8,12,15,17H,4,9-11H2,1-3H3
InChIKeyOAJUPOMTFMKZTH-UHFFFAOYSA-N
XLogP2.21
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]benzene-1,3-diol
CID 113232266
4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]-N-methylbenzamide
CID 103640064
4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol
CID 104861930
[4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol
CID 113365785
N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62559417
N-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 115523961
N'-butan-2-yl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62560168
N'-methyl-N-[(4-nitrophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 62634188
4-[(nonadecylamino)methyl]phenol
CID 70039599
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 111245217
4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol
CID 22756076
4-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]phenol
CID 43205412

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]phenol?
The IUPAC name of 4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]phenol (CID 113357824) is 4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]phenol.
What is the SMILES notation for 4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]phenol?
The canonical SMILES for 4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]phenol is CCC(C)N(C)CCNCc1ccc(O)cc1.
What is the InChIKey of 4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]phenol?
The InChIKey is OAJUPOMTFMKZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-12(2)16(3)10-9-15-11-13-5-7-14(17)8-6-13/h5-8,12,15,17H,4,9-11H2,1-3H3.
What are the key properties of 4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]phenol?
4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]phenol has a molecular weight of 236.36 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]phenol is sourced from PubChem (CID 113357824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).