2-[[propan-2-yl(propyl)amino]methyl]phenol

C13H21NO — CID 79038025

IUPAC2-[[propan-2-yl(propyl)amino]methyl]phenol
SMILESCCCN(Cc1ccccc1O)C(C)C
InChIInChI=1S/C13H21NO/c1-4-9-14(11(2)3)10-12-7-5-6-8-13(12)15/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyKZRKUSNMEODKTJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.01
Rot. Bonds5

About 2-[[propan-2-yl(propyl)amino]methyl]phenol

2-[[propan-2-yl(propyl)amino]methyl]phenol (PubChem CID 79038025) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[[propan-2-yl(propyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[propan-2-yl(propyl)amino]methyl]phenol
PubChem CID79038025
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-[[propan-2-yl(propyl)amino]methyl]phenol
SMILESCCCN(Cc1ccccc1O)C(C)C
InChIInChI=1S/C13H21NO/c1-4-9-14(11(2)3)10-12-7-5-6-8-13(12)15/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyKZRKUSNMEODKTJ-UHFFFAOYSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.01
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

2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82981726
2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
CID 55212652
2-[butan-2-yl-[(2-hydroxyphenyl)methyl]amino]acetic acid
CID 65057446
4-bromo-3-[[propan-2-yl(propyl)amino]methyl]phenol
CID 82977711
2-methyl-N-[2-[2-[[propan-2-yl(propyl)amino]methyl]phenyl]ethyl]propan-2-amine
CID 115463638
4-methyl-2-[[pentyl(propan-2-yl)amino]methyl]phenol
CID 82978818
2-[[[ethyl(methyl)sulfamoyl]-propylamino]methyl]phenol
CID 84589667
N-methyl-3-[[propan-2-yl(propyl)amino]methyl]pyridin-2-amine
CID 62470249
3-[ethyl-[(2-hydroxyphenyl)methyl]amino]butanoic acid
CID 65060655
N-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 55001809
3-[(2-ethylphenyl)methyl-propan-2-ylamino]propanoic acid
CID 65057399
2-[[bis(3-methylbutyl)amino]methyl]phenol
CID 107871853

Frequently Asked Questions

What is the IUPAC name of 2-[[propan-2-yl(propyl)amino]methyl]phenol?
The IUPAC name of 2-[[propan-2-yl(propyl)amino]methyl]phenol (CID 79038025) is 2-[[propan-2-yl(propyl)amino]methyl]phenol.
What is the SMILES notation for 2-[[propan-2-yl(propyl)amino]methyl]phenol?
The canonical SMILES for 2-[[propan-2-yl(propyl)amino]methyl]phenol is CCCN(Cc1ccccc1O)C(C)C.
What is the InChIKey of 2-[[propan-2-yl(propyl)amino]methyl]phenol?
The InChIKey is KZRKUSNMEODKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-9-14(11(2)3)10-12-7-5-6-8-13(12)15/h5-8,11,15H,4,9-10H2,1-3H3.
What are the key properties of 2-[[propan-2-yl(propyl)amino]methyl]phenol?
2-[[propan-2-yl(propyl)amino]methyl]phenol has a molecular weight of 207.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[propan-2-yl(propyl)amino]methyl]phenol is sourced from PubChem (CID 79038025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).