3-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol

C19H25NO — CID 69342737

IUPAC3-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
SMILESCC(C)(C)c1ccc(CNCCc2cccc(O)c2)cc1
InChIInChI=1S/C19H25NO/c1-19(2,3)17-9-7-16(8-10-17)14-20-12-11-15-5-4-6-18(21)13-15/h4-10,13,20-21H,11-12,14H2,1-3H3
InChIKeyIPUOLWPHBHBDIN-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.02
Rot. Bonds5

About 3-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol

3-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol (PubChem CID 69342737) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 3-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
PubChem CID69342737
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name3-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
SMILESCC(C)(C)c1ccc(CNCCc2cccc(O)c2)cc1
InChIInChI=1S/C19H25NO/c1-19(2,3)17-9-7-16(8-10-17)14-20-12-11-15-5-4-6-18(21)13-15/h4-10,13,20-21H,11-12,14H2,1-3H3
InChIKeyIPUOLWPHBHBDIN-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'}

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Related Compounds

4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
CID 61239050
4-[[2-(3-methylphenyl)ethylamino]methyl]phenol
CID 62314610
N-[(4-tert-butylphenyl)methyl]-2-(3,4-difluorophenyl)ethanamine
CID 68882968
3-[2-(prop-2-ynylamino)ethyl]phenol
CID 10921791
2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 68882931
3-(propylaminomethyl)phenol
CID 10725714
6-[2-(benzylamino)ethyl]naphthalen-2-ol;hydrobromide
CID 20541959
3-[[2-(ethylamino)ethylamino]methyl]phenol
CID 83962894
3-[(2,2-dimethylpropylamino)methyl]phenol
CID 61168386
3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol
CID 23439773
3-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78910580
4-[2-[(4-hydroxyphenyl)methylamino]ethyl]benzene-1,2-diol;hydrochloride
CID 6366773

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol?
The IUPAC name of 3-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol (CID 69342737) is 3-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol.
What is the SMILES notation for 3-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol?
The canonical SMILES for 3-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol is CC(C)(C)c1ccc(CNCCc2cccc(O)c2)cc1.
What is the InChIKey of 3-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol?
The InChIKey is IPUOLWPHBHBDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-19(2,3)17-9-7-16(8-10-17)14-20-12-11-15-5-4-6-18(21)13-15/h4-10,13,20-21H,11-12,14H2,1-3H3.
What are the key properties of 3-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol?
3-[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 3-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol is sourced from PubChem (CID 69342737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).