2-(1-methylpyrrol-3-yl)-2-(propan-2-ylamino)ethanol

C10H18N2O — CID 82280921

IUPAC2-(1-methylpyrrol-3-yl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NC(CO)c1ccn(C)c1
InChIInChI=1S/C10H18N2O/c1-8(2)11-10(7-13)9-4-5-12(3)6-9/h4-6,8,10-11,13H,7H2,1-3H3
InChIKeyXPFIDQZRPTULFL-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.06
Rot. Bonds4

About 2-(1-methylpyrrol-3-yl)-2-(propan-2-ylamino)ethanol

2-(1-methylpyrrol-3-yl)-2-(propan-2-ylamino)ethanol (PubChem CID 82280921) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(1-methylpyrrol-3-yl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name2-(1-methylpyrrol-3-yl)-2-(propan-2-ylamino)ethanol
PubChem CID82280921
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(1-methylpyrrol-3-yl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NC(CO)c1ccn(C)c1
InChIInChI=1S/C10H18N2O/c1-8(2)11-10(7-13)9-4-5-12(3)6-9/h4-6,8,10-11,13H,7H2,1-3H3
InChIKeyXPFIDQZRPTULFL-UHFFFAOYSA-N
XLogP1.06
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 93470492
3-butan-2-yl-1-methylpyrrole
CID 58652042
1-(1-methylpyrrol-3-yl)propane-1,3-diol
CID 82280202
2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 115528119
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(propan-2-ylamino)ethanol
CID 61048603
N,N-dimethyl-1-(1-methylpyrrol-3-yl)ethane-1,2-diamine
CID 82280376
2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol
CID 112512598
2-hydrazinyl-1-(1-methylpyrrol-3-yl)ethanol
CID 82280203
2-(1-methylpyrrol-3-yl)propanoic acid
CID 82280163
2-amino-N-[1-(1-methylpyrrol-3-yl)ethyl]acetamide
CID 82490710
1-methyl-3-[1-(1-methylpyrrol-3-yl)ethyl]urea
CID 130643698
3-(methylamino)-1-(1-methylpyrrol-3-yl)propan-1-ol
CID 82280396

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-3-yl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 2-(1-methylpyrrol-3-yl)-2-(propan-2-ylamino)ethanol (CID 82280921) is 2-(1-methylpyrrol-3-yl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 2-(1-methylpyrrol-3-yl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 2-(1-methylpyrrol-3-yl)-2-(propan-2-ylamino)ethanol is CC(C)NC(CO)c1ccn(C)c1.
What is the InChIKey of 2-(1-methylpyrrol-3-yl)-2-(propan-2-ylamino)ethanol?
The InChIKey is XPFIDQZRPTULFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(2)11-10(7-13)9-4-5-12(3)6-9/h4-6,8,10-11,13H,7H2,1-3H3.
What are the key properties of 2-(1-methylpyrrol-3-yl)-2-(propan-2-ylamino)ethanol?
2-(1-methylpyrrol-3-yl)-2-(propan-2-ylamino)ethanol has a molecular weight of 182.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-3-yl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 82280921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).