4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol

C18H23NO — CID 115494436

IUPAC4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol
SMILESCc1ccccc1CCNC(C)Cc1ccc(O)cc1
InChIInChI=1S/C18H23NO/c1-14-5-3-4-6-17(14)11-12-19-15(2)13-16-7-9-18(20)10-8-16/h3-10,15,19-20H,11-13H2,1-2H3
InChIKeyYQVVYNQTKXXHBK-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.46
Rot. Bonds6

About 4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol

4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol (PubChem CID 115494436) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol
PubChem CID115494436
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol
SMILESCc1ccccc1CCNC(C)Cc1ccc(O)cc1
InChIInChI=1S/C18H23NO/c1-14-5-3-4-6-17(14)11-12-19-15(2)13-16-7-9-18(20)10-8-16/h3-10,15,19-20H,11-13H2,1-2H3
InChIKeyYQVVYNQTKXXHBK-UHFFFAOYSA-N
XLogP3.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol
CID 114829509
4-[2-(3-methylbutylamino)propyl]phenol
CID 115493888
4-[2-(2-methylphenyl)ethylamino]pentanoic acid
CID 79762866
N-[2-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 57276686
4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol
CID 115493853
4-[2-(3-fluoropropylamino)propyl]phenol
CID 110174731
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
N-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 79763044
4-methoxy-4-methyl-N-[2-(2-methylphenyl)ethyl]pentan-2-amine
CID 79763034
4-[2-(decylamino)propyl]phenol
CID 115494442
N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
CID 23824143
4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol?
The IUPAC name of 4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol (CID 115494436) is 4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol.
What is the SMILES notation for 4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol?
The canonical SMILES for 4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol is Cc1ccccc1CCNC(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol?
The InChIKey is YQVVYNQTKXXHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14-5-3-4-6-17(14)11-12-19-15(2)13-16-7-9-18(20)10-8-16/h3-10,15,19-20H,11-13H2,1-2H3.
What are the key properties of 4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol?
4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol has a molecular weight of 269.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol is sourced from PubChem (CID 115494436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).