4-[2-(3-propan-2-ylanilino)propyl]phenol

C18H23NO — CID 115493965

IUPAC4-[2-(3-propan-2-ylanilino)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)Nc1cccc(C(C)C)c1
InChIInChI=1S/C18H23NO/c1-13(2)16-5-4-6-17(12-16)19-14(3)11-15-7-9-18(20)10-8-15/h4-10,12-14,19-20H,11H2,1-3H3
InChIKeyXCVAULHVLSLBNY-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.56
Rot. Bonds5

About 4-[2-(3-propan-2-ylanilino)propyl]phenol

4-[2-(3-propan-2-ylanilino)propyl]phenol (PubChem CID 115493965) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[2-(3-propan-2-ylanilino)propyl]phenol.

Molecular Properties

Compound Name4-[2-(3-propan-2-ylanilino)propyl]phenol
PubChem CID115493965
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-[2-(3-propan-2-ylanilino)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)Nc1cccc(C(C)C)c1
InChIInChI=1S/C18H23NO/c1-13(2)16-5-4-6-17(12-16)19-14(3)11-15-7-9-18(20)10-8-15/h4-10,12-14,19-20H,11H2,1-3H3
InChIKeyXCVAULHVLSLBNY-UHFFFAOYSA-N
XLogP4.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
2-N-(3-propan-2-ylphenyl)propane-1,2-diamine
CID 103387503
4-[2-(4-fluoro-3-methylanilino)propyl]phenol
CID 115494328
ethane;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol
CID 145300140
4-[1-(4-hydroxyphenyl)propan-2-ylamino]benzene-1,2-dicarbonitrile
CID 107788231
2-chloro-4-[1-(4-hydroxyphenyl)propan-2-ylamino]benzonitrile
CID 115494021
2-fluoro-5-[1-(4-hydroxyphenyl)propan-2-ylamino]benzoic acid
CID 115494141
4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol
CID 115494265
N-hexan-2-yl-3-propan-2-ylaniline
CID 43768976
2-[1-(3-propan-2-ylanilino)ethyl]benzene-1,4-diol
CID 43204592
N-[1-(4-chlorophenyl)propan-2-yl]-3-methylaniline
CID 114081193
2-[3-(4-hydroxyphenyl)propyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111816054

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-propan-2-ylanilino)propyl]phenol?
The IUPAC name of 4-[2-(3-propan-2-ylanilino)propyl]phenol (CID 115493965) is 4-[2-(3-propan-2-ylanilino)propyl]phenol.
What is the SMILES notation for 4-[2-(3-propan-2-ylanilino)propyl]phenol?
The canonical SMILES for 4-[2-(3-propan-2-ylanilino)propyl]phenol is CC(Cc1ccc(O)cc1)Nc1cccc(C(C)C)c1.
What is the InChIKey of 4-[2-(3-propan-2-ylanilino)propyl]phenol?
The InChIKey is XCVAULHVLSLBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)16-5-4-6-17(12-16)19-14(3)11-15-7-9-18(20)10-8-15/h4-10,12-14,19-20H,11H2,1-3H3.
What are the key properties of 4-[2-(3-propan-2-ylanilino)propyl]phenol?
4-[2-(3-propan-2-ylanilino)propyl]phenol has a molecular weight of 269.39 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-propan-2-ylanilino)propyl]phenol is sourced from PubChem (CID 115493965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).