2-(4-tert-butylphenyl)-2-(propylamino)ethanol

C15H25NO — CID 61054986

IUPAC2-(4-tert-butylphenyl)-2-(propylamino)ethanol
SMILESCCCNC(CO)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO/c1-5-10-16-14(11-17)12-6-8-13(9-7-12)15(2,3)4/h6-9,14,16-17H,5,10-11H2,1-4H3
InChIKeyNNFFNVPZTPIZAZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.02
Rot. Bonds5

About 2-(4-tert-butylphenyl)-2-(propylamino)ethanol

2-(4-tert-butylphenyl)-2-(propylamino)ethanol (PubChem CID 61054986) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-(propylamino)ethanol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-(propylamino)ethanol
PubChem CID61054986
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(4-tert-butylphenyl)-2-(propylamino)ethanol
SMILESCCCNC(CO)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO/c1-5-10-16-14(11-17)12-6-8-13(9-7-12)15(2,3)4/h6-9,14,16-17H,5,10-11H2,1-4H3
InChIKeyNNFFNVPZTPIZAZ-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-tert-butylphenyl)-2-(propylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(propylamino)-2-[4-(trichloromethyl)phenyl]ethanol
CID 82358177
1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine
CID 62066764
3-(4-tert-butylphenyl)-3-(propylamino)propanamide
CID 65236000
1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine
CID 55085543
ethyl 3-(4-tert-butylphenyl)-3-(propylamino)propanoate
CID 65235735
1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine
CID 105037317
1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine
CID 104986877
1-(4-tert-butylphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79644553
2-naphthalen-2-yl-2-(propylamino)ethanol
CID 61055183
N-[1-(4-tert-butylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine
CID 79323052
2-(4-tert-butylphenyl)-N-propylpentan-3-amine
CID 79307383
4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 115849836

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-(propylamino)ethanol?
The IUPAC name of 2-(4-tert-butylphenyl)-2-(propylamino)ethanol (CID 61054986) is 2-(4-tert-butylphenyl)-2-(propylamino)ethanol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-(propylamino)ethanol?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-(propylamino)ethanol is CCCNC(CO)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-(propylamino)ethanol?
The InChIKey is NNFFNVPZTPIZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-10-16-14(11-17)12-6-8-13(9-7-12)15(2,3)4/h6-9,14,16-17H,5,10-11H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-2-(propylamino)ethanol?
2-(4-tert-butylphenyl)-2-(propylamino)ethanol has a molecular weight of 235.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-2-(propylamino)ethanol is sourced from PubChem (CID 61054986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).