2-[(1-ethylpyrrol-2-yl)methylamino]-1-phenylethanol

C15H20N2O — CID 66411511

IUPAC2-[(1-ethylpyrrol-2-yl)methylamino]-1-phenylethanol
SMILESCCn1cccc1CNCC(O)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-2-17-10-6-9-14(17)11-16-12-15(18)13-7-4-3-5-8-13/h3-10,15-16,18H,2,11-12H2,1H3
InChIKeyBHTROQBHMCJFHT-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.33
Rot. Bonds6

About 2-[(1-ethylpyrrol-2-yl)methylamino]-1-phenylethanol

2-[(1-ethylpyrrol-2-yl)methylamino]-1-phenylethanol (PubChem CID 66411511) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[(1-ethylpyrrol-2-yl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(1-ethylpyrrol-2-yl)methylamino]-1-phenylethanol
PubChem CID66411511
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[(1-ethylpyrrol-2-yl)methylamino]-1-phenylethanol
SMILESCCn1cccc1CNCC(O)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-2-17-10-6-9-14(17)11-16-12-15(18)13-7-4-3-5-8-13/h3-10,15-16,18H,2,11-12H2,1H3
InChIKeyBHTROQBHMCJFHT-UHFFFAOYSA-N
XLogP2.33
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol
CID 66411513
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
1-(4-methylphenyl)-2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]ethanol
CID 111436544
N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 66443633
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol
CID 70462318
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463
N-[(1-ethylpyrrol-2-yl)methyl]-3-phenoxypropan-1-amine
CID 66444605
2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 111436616
N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882107
N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide
CID 66411108

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrol-2-yl)methylamino]-1-phenylethanol?
The IUPAC name of 2-[(1-ethylpyrrol-2-yl)methylamino]-1-phenylethanol (CID 66411511) is 2-[(1-ethylpyrrol-2-yl)methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[(1-ethylpyrrol-2-yl)methylamino]-1-phenylethanol?
The canonical SMILES for 2-[(1-ethylpyrrol-2-yl)methylamino]-1-phenylethanol is CCn1cccc1CNCC(O)c1ccccc1.
What is the InChIKey of 2-[(1-ethylpyrrol-2-yl)methylamino]-1-phenylethanol?
The InChIKey is BHTROQBHMCJFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-17-10-6-9-14(17)11-16-12-15(18)13-7-4-3-5-8-13/h3-10,15-16,18H,2,11-12H2,1H3.
What are the key properties of 2-[(1-ethylpyrrol-2-yl)methylamino]-1-phenylethanol?
2-[(1-ethylpyrrol-2-yl)methylamino]-1-phenylethanol has a molecular weight of 244.34 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrol-2-yl)methylamino]-1-phenylethanol is sourced from PubChem (CID 66411511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).