3-[2-[2-(2-methylphenyl)ethylamino]ethyl]phenol

C17H21NO — CID 21152964

IUPAC3-[2-[2-(2-methylphenyl)ethylamino]ethyl]phenol
SMILESCc1ccccc1CCNCCc1cccc(O)c1
InChIInChI=1S/C17H21NO/c1-14-5-2-3-7-16(14)10-12-18-11-9-15-6-4-8-17(19)13-15/h2-8,13,18-19H,9-12H2,1H3
InChIKeyDBVZAOPHAXMRPH-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.08
Rot. Bonds6

About 3-[2-[2-(2-methylphenyl)ethylamino]ethyl]phenol

3-[2-[2-(2-methylphenyl)ethylamino]ethyl]phenol (PubChem CID 21152964) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[2-[2-(2-methylphenyl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[2-[2-(2-methylphenyl)ethylamino]ethyl]phenol
PubChem CID21152964
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-[2-[2-(2-methylphenyl)ethylamino]ethyl]phenol
SMILESCc1ccccc1CCNCCc1cccc(O)c1
InChIInChI=1S/C17H21NO/c1-14-5-2-3-7-16(14)10-12-18-11-9-15-6-4-8-17(19)13-15/h2-8,13,18-19H,9-12H2,1H3
InChIKeyDBVZAOPHAXMRPH-UHFFFAOYSA-N
XLogP3.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.08
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

3-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78910580
2-[2-(3-hydroxyphenyl)ethyl]phenol
CID 10560581
3-[2-(prop-2-ynylamino)ethyl]phenol
CID 10921791
N-[2-(2-chloro-3-methylphenyl)ethyl]-2-phenylethanamine
CID 142007864
3-[[2-(2-methylphenyl)ethylamino]methyl]benzene-1,2-diol
CID 79762957
N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910558
2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 39357471
N-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine
CID 115202150
4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78959999
3-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
CID 69342737
1-methyl-2-[2-(3-methylphenyl)ethyl]benzene
CID 13419836
5-[2-[2-(3-hydroxyphenyl)ethylamino]prop-2-enyl]-2-methylphenol
CID 144524629

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methylphenyl)ethylamino]ethyl]phenol?
The IUPAC name of 3-[2-[2-(2-methylphenyl)ethylamino]ethyl]phenol (CID 21152964) is 3-[2-[2-(2-methylphenyl)ethylamino]ethyl]phenol.
What is the SMILES notation for 3-[2-[2-(2-methylphenyl)ethylamino]ethyl]phenol?
The canonical SMILES for 3-[2-[2-(2-methylphenyl)ethylamino]ethyl]phenol is Cc1ccccc1CCNCCc1cccc(O)c1.
What is the InChIKey of 3-[2-[2-(2-methylphenyl)ethylamino]ethyl]phenol?
The InChIKey is DBVZAOPHAXMRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-14-5-2-3-7-16(14)10-12-18-11-9-15-6-4-8-17(19)13-15/h2-8,13,18-19H,9-12H2,1H3.
What are the key properties of 3-[2-[2-(2-methylphenyl)ethylamino]ethyl]phenol?
3-[2-[2-(2-methylphenyl)ethylamino]ethyl]phenol has a molecular weight of 255.36 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methylphenyl)ethylamino]ethyl]phenol is sourced from PubChem (CID 21152964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).