4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol

C19H25NO — CID 61239050

IUPAC4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
SMILESCC(C)(C)c1ccc(CNCCc2ccc(O)cc2)cc1
InChIInChI=1S/C19H25NO/c1-19(2,3)17-8-4-16(5-9-17)14-20-13-12-15-6-10-18(21)11-7-15/h4-11,20-21H,12-14H2,1-3H3
InChIKeyUDTYBTISRQNNMO-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.02
Rot. Bonds5

About 4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol

4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol (PubChem CID 61239050) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
PubChem CID61239050
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
SMILESCC(C)(C)c1ccc(CNCCc2ccc(O)cc2)cc1
InChIInChI=1S/C19H25NO/c1-19(2,3)17-8-4-16(5-9-17)14-20-13-12-15-6-10-18(21)11-7-15/h4-11,20-21H,12-14H2,1-3H3
InChIKeyUDTYBTISRQNNMO-UHFFFAOYSA-N
XLogP4.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol 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

3-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
CID 69342737
2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 68882931
4-[2-[(4-bromophenyl)methylamino]ethyl]phenol
CID 61236714
4-[2-[(4-hydroxyphenyl)methylamino]ethyl]benzene-1,2-diol;hydrochloride
CID 6366773
N-[(4-tert-butylphenyl)methyl]-2-(3,4-difluorophenyl)ethanamine
CID 68882968
4-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]phenol
CID 61236557
N'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine
CID 115227117
N'-[2-(4-tert-butylphenyl)ethyl]methanediamine
CID 115225996
N-[2-(4-tert-butylphenyl)ethyl]hydroxylamine
CID 142885264
N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine
CID 115195374
4-[[2-(3-methylphenyl)ethylamino]methyl]phenol
CID 62314610
N-ethyl-3-[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]propanamide
CID 173196459

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol?
The IUPAC name of 4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol (CID 61239050) is 4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol?
The canonical SMILES for 4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol is CC(C)(C)c1ccc(CNCCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol?
The InChIKey is UDTYBTISRQNNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-19(2,3)17-8-4-16(5-9-17)14-20-13-12-15-6-10-18(21)11-7-15/h4-11,20-21H,12-14H2,1-3H3.
What are the key properties of 4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol?
4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol has a molecular weight of 283.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol is sourced from PubChem (CID 61239050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).