2-amino-4-[[bis(2-methylpropyl)amino]methyl]phenol

C15H26N2O — CID 43587541

IUPAC2-amino-4-[[bis(2-methylpropyl)amino]methyl]phenol
SMILESCC(C)CN(Cc1ccc(O)c(N)c1)CC(C)C
InChIInChI=1S/C15H26N2O/c1-11(2)8-17(9-12(3)4)10-13-5-6-15(18)14(16)7-13/h5-7,11-12,18H,8-10,16H2,1-4H3
InChIKeyZSDXSVSDVGPWTA-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.09
Rot. Bonds6

About 2-amino-4-[[bis(2-methylpropyl)amino]methyl]phenol

2-amino-4-[[bis(2-methylpropyl)amino]methyl]phenol (PubChem CID 43587541) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-amino-4-[[bis(2-methylpropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-amino-4-[[bis(2-methylpropyl)amino]methyl]phenol
PubChem CID43587541
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-amino-4-[[bis(2-methylpropyl)amino]methyl]phenol
SMILESCC(C)CN(Cc1ccc(O)c(N)c1)CC(C)C
InChIInChI=1S/C15H26N2O/c1-11(2)8-17(9-12(3)4)10-13-5-6-15(18)14(16)7-13/h5-7,11-12,18H,8-10,16H2,1-4H3
InChIKeyZSDXSVSDVGPWTA-UHFFFAOYSA-N
XLogP3.09
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[(dibenzylamino)methyl]phenol
CID 130157268
4-[[bis(2-methylpropyl)amino]methyl]-2-ethoxyphenol
CID 82982111
4-[[bis(2-methylpropyl)amino]methyl]aniline
CID 23507481
2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol
CID 112657650
2-[(3-amino-4-hydroxyphenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 54985803
4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxyphenol
CID 82977222
2-amino-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
CID 81059455
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline
CID 54985891
2-amino-4-[(propan-2-ylamino)methyl]phenol
CID 84657542
2-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
CID 82982520
2-bromo-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
CID 82981827
2-amino-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 60890972

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[bis(2-methylpropyl)amino]methyl]phenol?
The IUPAC name of 2-amino-4-[[bis(2-methylpropyl)amino]methyl]phenol (CID 43587541) is 2-amino-4-[[bis(2-methylpropyl)amino]methyl]phenol.
What is the SMILES notation for 2-amino-4-[[bis(2-methylpropyl)amino]methyl]phenol?
The canonical SMILES for 2-amino-4-[[bis(2-methylpropyl)amino]methyl]phenol is CC(C)CN(Cc1ccc(O)c(N)c1)CC(C)C.
What is the InChIKey of 2-amino-4-[[bis(2-methylpropyl)amino]methyl]phenol?
The InChIKey is ZSDXSVSDVGPWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)8-17(9-12(3)4)10-13-5-6-15(18)14(16)7-13/h5-7,11-12,18H,8-10,16H2,1-4H3.
What are the key properties of 2-amino-4-[[bis(2-methylpropyl)amino]methyl]phenol?
2-amino-4-[[bis(2-methylpropyl)amino]methyl]phenol has a molecular weight of 250.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[bis(2-methylpropyl)amino]methyl]phenol is sourced from PubChem (CID 43587541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).