1-(4-methylphenyl)-2-(1H-pyrrol-2-ylmethylamino)ethanol

C14H18N2O — CID 45098136

IUPAC1-(4-methylphenyl)-2-(1H-pyrrol-2-ylmethylamino)ethanol
SMILESCc1ccc(C(O)CNCc2ccc[nH]2)cc1
InChIInChI=1S/C14H18N2O/c1-11-4-6-12(7-5-11)14(17)10-15-9-13-3-2-8-16-13/h2-8,14-17H,9-10H2,1H3
InChIKeyVETPLBWCFPVEDQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.15
Rot. Bonds5

About 1-(4-methylphenyl)-2-(1H-pyrrol-2-ylmethylamino)ethanol

1-(4-methylphenyl)-2-(1H-pyrrol-2-ylmethylamino)ethanol (PubChem CID 45098136) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(1H-pyrrol-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(1H-pyrrol-2-ylmethylamino)ethanol
PubChem CID45098136
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(4-methylphenyl)-2-(1H-pyrrol-2-ylmethylamino)ethanol
SMILESCc1ccc(C(O)CNCc2ccc[nH]2)cc1
InChIInChI=1S/C14H18N2O/c1-11-4-6-12(7-5-11)14(17)10-15-9-13-3-2-8-16-13/h2-8,14-17H,9-10H2,1H3
InChIKeyVETPLBWCFPVEDQ-UHFFFAOYSA-N
XLogP2.15
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-pyrrol-2-ylmethylamino)-1-thiophen-3-ylethanol
CID 103578658
3-(1H-pyrrol-2-ylmethylamino)propane-1,2-diol
CID 66177182
3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol
CID 103578645
(1R)-2-(ethylamino)-1-(4-methylphenyl)ethanol
CID 39237107
2,3-dimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 64570071
4-hydroxy-5-(1H-pyrrol-2-ylmethylamino)pentanoic acid
CID 115122693
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)ethanol
CID 82312256
3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 82312246
1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683
2-[(2-methyl-1H-imidazol-5-yl)methylamino]-1-phenylethanol
CID 62743070
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 62339065
2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol
CID 111476645

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(1H-pyrrol-2-ylmethylamino)ethanol?
The IUPAC name of 1-(4-methylphenyl)-2-(1H-pyrrol-2-ylmethylamino)ethanol (CID 45098136) is 1-(4-methylphenyl)-2-(1H-pyrrol-2-ylmethylamino)ethanol.
What is the SMILES notation for 1-(4-methylphenyl)-2-(1H-pyrrol-2-ylmethylamino)ethanol?
The canonical SMILES for 1-(4-methylphenyl)-2-(1H-pyrrol-2-ylmethylamino)ethanol is Cc1ccc(C(O)CNCc2ccc[nH]2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(1H-pyrrol-2-ylmethylamino)ethanol?
The InChIKey is VETPLBWCFPVEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-4-6-12(7-5-11)14(17)10-15-9-13-3-2-8-16-13/h2-8,14-17H,9-10H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-(1H-pyrrol-2-ylmethylamino)ethanol?
1-(4-methylphenyl)-2-(1H-pyrrol-2-ylmethylamino)ethanol has a molecular weight of 230.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(1H-pyrrol-2-ylmethylamino)ethanol is sourced from PubChem (CID 45098136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).