2-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]phenol

C14H23NO2 — CID 113293714

IUPAC2-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]phenol
SMILESCCC(NCC(C)(C)CO)c1ccccc1O
InChIInChI=1S/C14H23NO2/c1-4-12(15-9-14(2,3)10-16)11-7-5-6-8-13(11)17/h5-8,12,15-17H,4,9-10H2,1-3H3
InChIKeyDFEXKDBKOXAVIC-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.45
Rot. Bonds6

About 2-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]phenol

2-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]phenol (PubChem CID 113293714) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]phenol.

Molecular Properties

Compound Name2-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]phenol
PubChem CID113293714
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]phenol
SMILESCCC(NCC(C)(C)CO)c1ccccc1O
InChIInChI=1S/C14H23NO2/c1-4-12(15-9-14(2,3)10-16)11-7-5-6-8-13(11)17/h5-8,12,15-17H,4,9-10H2,1-3H3
InChIKeyDFEXKDBKOXAVIC-UHFFFAOYSA-N
XLogP2.45
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-hydroxyphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 104664689
2,2-dimethyl-3-[1-(4-methylphenyl)propylamino]propan-1-ol
CID 81411321
2-[1-(methylamino)propyl]phenol
CID 12862798
2-[1-(2,4,4-trimethylpentan-2-ylamino)propyl]phenol
CID 43731141
2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol
CID 114983222
2-[1-(methoxyamino)propyl]phenol
CID 82706320
2,2-difluoro-3-[1-(2-methoxyphenyl)propylamino]propan-1-ol
CID 113463328
2-[1-(2-methylsulfonylethylamino)propyl]phenol
CID 54931599
2-[1-(3-cyclopentylpropylamino)propyl]phenol
CID 106008970
2-[1-(cyclopropylamino)propyl]phenol
CID 16772826
tert-butyl N-[(1R)-1-(2-hydroxyphenyl)propyl]carbamate
CID 52908303
2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]propyl]phenol
CID 63294662

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]phenol?
The IUPAC name of 2-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]phenol (CID 113293714) is 2-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]phenol.
What is the SMILES notation for 2-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]phenol?
The canonical SMILES for 2-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]phenol is CCC(NCC(C)(C)CO)c1ccccc1O.
What is the InChIKey of 2-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]phenol?
The InChIKey is DFEXKDBKOXAVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-12(15-9-14(2,3)10-16)11-7-5-6-8-13(11)17/h5-8,12,15-17H,4,9-10H2,1-3H3.
What are the key properties of 2-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]phenol?
2-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]phenol has a molecular weight of 237.34 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]phenol is sourced from PubChem (CID 113293714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).