[4-[[2-(1-aminoethyl)pyrrol-1-yl]methyl]phenyl]methanol

C14H18N2O — CID 113365936

IUPAC[4-[[2-(1-aminoethyl)pyrrol-1-yl]methyl]phenyl]methanol
SMILESCC(N)c1cccn1Cc1ccc(CO)cc1
InChIInChI=1S/C14H18N2O/c1-11(15)14-3-2-8-16(14)9-12-4-6-13(10-17)7-5-12/h2-8,11,17H,9-10,15H2,1H3
InChIKeyDSRXPYPSZCZVGV-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.05
Rot. Bonds4

About [4-[[2-(1-aminoethyl)pyrrol-1-yl]methyl]phenyl]methanol

[4-[[2-(1-aminoethyl)pyrrol-1-yl]methyl]phenyl]methanol (PubChem CID 113365936) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is [4-[[2-(1-aminoethyl)pyrrol-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[2-(1-aminoethyl)pyrrol-1-yl]methyl]phenyl]methanol
PubChem CID113365936
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name[4-[[2-(1-aminoethyl)pyrrol-1-yl]methyl]phenyl]methanol
SMILESCC(N)c1cccn1Cc1ccc(CO)cc1
InChIInChI=1S/C14H18N2O/c1-11(15)14-3-2-8-16(14)9-12-4-6-13(10-17)7-5-12/h2-8,11,17H,9-10,15H2,1H3
InChIKeyDSRXPYPSZCZVGV-UHFFFAOYSA-N
XLogP2.05
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(5-chlorothiophen-2-yl)methyl]pyrrol-2-yl]ethanamine
CID 79102325
1-[1-[(2-bromophenyl)methyl]pyrrol-2-yl]ethanamine
CID 79103009
1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine
CID 102856756
1-[1-(2-methylbutyl)pyrrol-2-yl]ethanamine
CID 79102217
1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]ethanol
CID 79106312
1-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 79102847
2-[2-(1-aminoethyl)pyrrol-1-yl]-N-benzylacetamide
CID 79101821
1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine
CID 79101628
1-[1-(1-benzothiophen-3-ylmethyl)pyrrol-2-yl]ethanamine
CID 79102220
1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine
CID 79103011
1-[1-[(4-bromophenyl)methyl]pyrrol-2-yl]-N-ethylethanamine
CID 79102060
[4-[[3-(1-aminoethyl)-1,2,4-triazol-1-yl]methyl]phenyl]methanol
CID 105359663

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(1-aminoethyl)pyrrol-1-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[2-(1-aminoethyl)pyrrol-1-yl]methyl]phenyl]methanol (CID 113365936) is [4-[[2-(1-aminoethyl)pyrrol-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[2-(1-aminoethyl)pyrrol-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[2-(1-aminoethyl)pyrrol-1-yl]methyl]phenyl]methanol is CC(N)c1cccn1Cc1ccc(CO)cc1.
What is the InChIKey of [4-[[2-(1-aminoethyl)pyrrol-1-yl]methyl]phenyl]methanol?
The InChIKey is DSRXPYPSZCZVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11(15)14-3-2-8-16(14)9-12-4-6-13(10-17)7-5-12/h2-8,11,17H,9-10,15H2,1H3.
What are the key properties of [4-[[2-(1-aminoethyl)pyrrol-1-yl]methyl]phenyl]methanol?
[4-[[2-(1-aminoethyl)pyrrol-1-yl]methyl]phenyl]methanol has a molecular weight of 230.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(1-aminoethyl)pyrrol-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 113365936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).