2-[[bis(3-methylbutyl)amino]methyl]phenol

C17H29NO — CID 107871853

IUPAC2-[[bis(3-methylbutyl)amino]methyl]phenol
SMILESCC(C)CCN(CCC(C)C)Cc1ccccc1O
InChIInChI=1S/C17H29NO/c1-14(2)9-11-18(12-10-15(3)4)13-16-7-5-6-8-17(16)19/h5-8,14-15,19H,9-13H2,1-4H3
InChIKeyPWSYTAOXZIMUSE-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.29
Rot. Bonds8

About 2-[[bis(3-methylbutyl)amino]methyl]phenol

2-[[bis(3-methylbutyl)amino]methyl]phenol (PubChem CID 107871853) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-[[bis(3-methylbutyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[bis(3-methylbutyl)amino]methyl]phenol
PubChem CID107871853
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-[[bis(3-methylbutyl)amino]methyl]phenol
SMILESCC(C)CCN(CCC(C)C)Cc1ccccc1O
InChIInChI=1S/C17H29NO/c1-14(2)9-11-18(12-10-15(3)4)13-16-7-5-6-8-17(16)19/h5-8,14-15,19H,9-13H2,1-4H3
InChIKeyPWSYTAOXZIMUSE-UHFFFAOYSA-N
XLogP4.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[bis(3-methylbutyl)amino]methyl]-2-fluoroaniline
CID 107869377
2-[[2-[(2-hydroxyphenyl)methyl-(propan-2-yloxymethyl)amino]ethyl-(propan-2-yloxymethyl)amino]methyl]phenol
CID 67015131
3-[[bis(3-methylbutyl)amino]methyl]-4-bromophenol
CID 107871875
2-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-1-phenylethanol
CID 42836977
3-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-2-methylpropanoic acid
CID 82327791
2-[[propan-2-yl(propyl)amino]methyl]phenol
CID 79038025
[bis[(2-hydroxyphenyl)methyl]amino]methylphosphonous acid
CID 171527926
N-benzyl-N-butyl-3-methylbutan-1-amine
CID 21355603
2-[[2,2-difluoroethyl(methyl)amino]methyl]phenol
CID 115624862
1-[(2-methoxyphenyl)methyl-(3-methylbutyl)amino]-3-propan-2-yloxypropan-2-ol
CID 42836968
2-[3-[bis(3-methylbutyl)amino]propyl]aniline
CID 107870230
2-[[bis(2-pyridin-2-ylethyl)amino]methyl]phenol
CID 15244964

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(3-methylbutyl)amino]methyl]phenol?
The IUPAC name of 2-[[bis(3-methylbutyl)amino]methyl]phenol (CID 107871853) is 2-[[bis(3-methylbutyl)amino]methyl]phenol.
What is the SMILES notation for 2-[[bis(3-methylbutyl)amino]methyl]phenol?
The canonical SMILES for 2-[[bis(3-methylbutyl)amino]methyl]phenol is CC(C)CCN(CCC(C)C)Cc1ccccc1O.
What is the InChIKey of 2-[[bis(3-methylbutyl)amino]methyl]phenol?
The InChIKey is PWSYTAOXZIMUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-14(2)9-11-18(12-10-15(3)4)13-16-7-5-6-8-17(16)19/h5-8,14-15,19H,9-13H2,1-4H3.
What are the key properties of 2-[[bis(3-methylbutyl)amino]methyl]phenol?
2-[[bis(3-methylbutyl)amino]methyl]phenol has a molecular weight of 263.43 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(3-methylbutyl)amino]methyl]phenol is sourced from PubChem (CID 107871853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).