3-[1-(4-methylphenyl)propylamino]phenol

C16H19NO — CID 43207013

IUPAC3-[1-(4-methylphenyl)propylamino]phenol
SMILESCCC(Nc1cccc(O)c1)c1ccc(C)cc1
InChIInChI=1S/C16H19NO/c1-3-16(13-9-7-12(2)8-10-13)17-14-5-4-6-15(18)11-14/h4-11,16-18H,3H2,1-2H3
InChIKeyRROLLLMGLITLRX-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.26
Rot. Bonds4

About 3-[1-(4-methylphenyl)propylamino]phenol

3-[1-(4-methylphenyl)propylamino]phenol (PubChem CID 43207013) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[1-(4-methylphenyl)propylamino]phenol.

Molecular Properties

Compound Name3-[1-(4-methylphenyl)propylamino]phenol
PubChem CID43207013
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-[1-(4-methylphenyl)propylamino]phenol
SMILESCCC(Nc1cccc(O)c1)c1ccc(C)cc1
InChIInChI=1S/C16H19NO/c1-3-16(13-9-7-12(2)8-10-13)17-14-5-4-6-15(18)11-14/h4-11,16-18H,3H2,1-2H3
InChIKeyRROLLLMGLITLRX-UHFFFAOYSA-N
XLogP4.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[1-(4-methylphenyl)propylamino]phenyl]methanol
CID 43715171
3-(methoxymethyl)-N-[1-(4-methylphenyl)propyl]aniline
CID 43672248
3-ethynyl-N-[1-(4-methylphenyl)propyl]aniline
CID 43109716
3-[1-(4-hydroxyphenyl)propylamino]benzamide
CID 43202878
2-[3-[1-(4-methylphenyl)propylamino]phenoxy]acetonitrile
CID 43721247
4-[1-[3-(methoxymethyl)anilino]propyl]phenol
CID 43672141
4-[1-(3-propoxyanilino)propyl]phenol
CID 43693694
3-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 43503411
N-[1-(4-methylphenyl)propyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193633
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
4-(1-phenylpropylamino)phenol
CID 43742837
2-chloro-4-[1-(4-methylphenyl)propylamino]benzamide
CID 43736529

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylphenyl)propylamino]phenol?
The IUPAC name of 3-[1-(4-methylphenyl)propylamino]phenol (CID 43207013) is 3-[1-(4-methylphenyl)propylamino]phenol.
What is the SMILES notation for 3-[1-(4-methylphenyl)propylamino]phenol?
The canonical SMILES for 3-[1-(4-methylphenyl)propylamino]phenol is CCC(Nc1cccc(O)c1)c1ccc(C)cc1.
What is the InChIKey of 3-[1-(4-methylphenyl)propylamino]phenol?
The InChIKey is RROLLLMGLITLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-16(13-9-7-12(2)8-10-13)17-14-5-4-6-15(18)11-14/h4-11,16-18H,3H2,1-2H3.
What are the key properties of 3-[1-(4-methylphenyl)propylamino]phenol?
3-[1-(4-methylphenyl)propylamino]phenol has a molecular weight of 241.33 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylphenyl)propylamino]phenol is sourced from PubChem (CID 43207013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).