4-[3-(pyrrol-1-ylamino)butyl]phenol

C14H18N2O — CID 79090689

IUPAC4-[3-(pyrrol-1-ylamino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)Nn1cccc1
InChIInChI=1S/C14H18N2O/c1-12(15-16-10-2-3-11-16)4-5-13-6-8-14(17)9-7-13/h2-3,6-12,15,17H,4-5H2,1H3
InChIKeyWHRLAABYPLERQH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.76
Rot. Bonds5

About 4-[3-(pyrrol-1-ylamino)butyl]phenol

4-[3-(pyrrol-1-ylamino)butyl]phenol (PubChem CID 79090689) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[3-(pyrrol-1-ylamino)butyl]phenol.

Molecular Properties

Compound Name4-[3-(pyrrol-1-ylamino)butyl]phenol
PubChem CID79090689
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-[3-(pyrrol-1-ylamino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)Nn1cccc1
InChIInChI=1S/C14H18N2O/c1-12(15-16-10-2-3-11-16)4-5-13-6-8-14(17)9-7-13/h2-3,6-12,15,17H,4-5H2,1H3
InChIKeyWHRLAABYPLERQH-UHFFFAOYSA-N
XLogP2.76
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 7445985
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
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4-[3-(3-methylbutylamino)butyl]phenol
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4-[3-(1-aminopropan-2-ylamino)butyl]phenol
CID 103388958
4-[2-(4-phenylbutan-2-ylamino)propyl]phenol
CID 79692143
4-[3-[(1-methylpyrrol-3-yl)methylamino]butyl]phenol
CID 66397478
4-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)butyl]phenol
CID 61471809
4-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]butyl]phenol
CID 79358775
4-[3-(2-methylbutan-2-ylamino)butyl]phenol
CID 43824453
4-[3-[(6-methyl-2-pyridinyl)methylamino]butyl]phenol
CID 62322123
4-[3-[1-(5-methylfuran-2-yl)ethylamino]butyl]phenol
CID 43685015
4-[3-(2,2,3-trimethylbutylamino)butyl]phenol
CID 102673404

Frequently Asked Questions

What is the IUPAC name of 4-[3-(pyrrol-1-ylamino)butyl]phenol?
The IUPAC name of 4-[3-(pyrrol-1-ylamino)butyl]phenol (CID 79090689) is 4-[3-(pyrrol-1-ylamino)butyl]phenol.
What is the SMILES notation for 4-[3-(pyrrol-1-ylamino)butyl]phenol?
The canonical SMILES for 4-[3-(pyrrol-1-ylamino)butyl]phenol is CC(CCc1ccc(O)cc1)Nn1cccc1.
What is the InChIKey of 4-[3-(pyrrol-1-ylamino)butyl]phenol?
The InChIKey is WHRLAABYPLERQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-12(15-16-10-2-3-11-16)4-5-13-6-8-14(17)9-7-13/h2-3,6-12,15,17H,4-5H2,1H3.
What are the key properties of 4-[3-(pyrrol-1-ylamino)butyl]phenol?
4-[3-(pyrrol-1-ylamino)butyl]phenol has a molecular weight of 230.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(pyrrol-1-ylamino)butyl]phenol is sourced from PubChem (CID 79090689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).