2-[1-(2,4,4-trimethylpentan-2-ylamino)propyl]phenol

C17H29NO — CID 43731141

IUPAC2-[1-(2,4,4-trimethylpentan-2-ylamino)propyl]phenol
SMILESCCC(NC(C)(C)CC(C)(C)C)c1ccccc1O
InChIInChI=1S/C17H29NO/c1-7-14(13-10-8-9-11-15(13)19)18-17(5,6)12-16(2,3)4/h8-11,14,18-19H,7,12H2,1-6H3
InChIKeyRUGFKFFREIMTKO-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.65
Rot. Bonds5

About 2-[1-(2,4,4-trimethylpentan-2-ylamino)propyl]phenol

2-[1-(2,4,4-trimethylpentan-2-ylamino)propyl]phenol (PubChem CID 43731141) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2-[1-(2,4,4-trimethylpentan-2-ylamino)propyl]phenol.

Molecular Properties

Compound Name2-[1-(2,4,4-trimethylpentan-2-ylamino)propyl]phenol
PubChem CID43731141
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2-[1-(2,4,4-trimethylpentan-2-ylamino)propyl]phenol
SMILESCCC(NC(C)(C)CC(C)(C)C)c1ccccc1O
InChIInChI=1S/C17H29NO/c1-7-14(13-10-8-9-11-15(13)19)18-17(5,6)12-16(2,3)4/h8-11,14,18-19H,7,12H2,1-6H3
InChIKeyRUGFKFFREIMTKO-UHFFFAOYSA-N
XLogP4.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(methylamino)propyl]phenol
CID 12862798
2-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]phenol
CID 113293714
2-[1-(methoxyamino)propyl]phenol
CID 82706320
2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine
CID 63445443
2-[1-(cyclopropylamino)propyl]phenol
CID 16772826
tert-butyl N-[(1R)-1-(2-hydroxyphenyl)propyl]carbamate
CID 52908303
3-[1-(2-hydroxyphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 104664689
2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol
CID 114983222
2-[1-(2,4,4-trimethylpentan-2-ylamino)ethyl]benzene-1,4-diol
CID 43731188
N-[1-(2-ethoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine
CID 43731142
2-[1-(2-methylsulfonylethylamino)propyl]phenol
CID 54931599
2-[1-(1-phenylethylamino)propyl]phenol
CID 43189917

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4,4-trimethylpentan-2-ylamino)propyl]phenol?
The IUPAC name of 2-[1-(2,4,4-trimethylpentan-2-ylamino)propyl]phenol (CID 43731141) is 2-[1-(2,4,4-trimethylpentan-2-ylamino)propyl]phenol.
What is the SMILES notation for 2-[1-(2,4,4-trimethylpentan-2-ylamino)propyl]phenol?
The canonical SMILES for 2-[1-(2,4,4-trimethylpentan-2-ylamino)propyl]phenol is CCC(NC(C)(C)CC(C)(C)C)c1ccccc1O.
What is the InChIKey of 2-[1-(2,4,4-trimethylpentan-2-ylamino)propyl]phenol?
The InChIKey is RUGFKFFREIMTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-14(13-10-8-9-11-15(13)19)18-17(5,6)12-16(2,3)4/h8-11,14,18-19H,7,12H2,1-6H3.
What are the key properties of 2-[1-(2,4,4-trimethylpentan-2-ylamino)propyl]phenol?
2-[1-(2,4,4-trimethylpentan-2-ylamino)propyl]phenol has a molecular weight of 263.42 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4,4-trimethylpentan-2-ylamino)propyl]phenol is sourced from PubChem (CID 43731141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).