2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol

C17H24N2O2 — CID 111436616

IUPAC2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(O)CNCc2cccn2C)cc1
InChIInChI=1S/C17H24N2O2/c1-13(2)21-16-8-6-14(7-9-16)17(20)12-18-11-15-5-4-10-19(15)3/h4-10,13,17-18,20H,11-12H2,1-3H3
InChIKeyVKDNIEXYPPCCSN-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.64
Rot. Bonds7

About 2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol

2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol (PubChem CID 111436616) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
PubChem CID111436616
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(O)CNCc2cccn2C)cc1
InChIInChI=1S/C17H24N2O2/c1-13(2)21-16-8-6-14(7-9-16)17(20)12-18-11-15-5-4-10-19(15)3/h4-10,13,17-18,20H,11-12H2,1-3H3
InChIKeyVKDNIEXYPPCCSN-UHFFFAOYSA-N
XLogP2.64
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 111422221
2-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 82314145
2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol
CID 111466942
2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol
CID 111422192
N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfinylpropan-1-amine
CID 115764127
1-(4-propan-2-yloxyphenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111422217
1-(4-propan-2-yloxyphenyl)butan-1-ol
CID 22486858
2-[(1-ethylpyrrol-2-yl)methylamino]-1-phenylethanol
CID 66411511
2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103685321
1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol
CID 60902136
2-methoxy-3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]butan-1-amine
CID 115667004
(1S)-2-[(5-chloropyrimidin-2-yl)amino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 125130843

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol (CID 111436616) is 2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol is CC(C)Oc1ccc(C(O)CNCc2cccn2C)cc1.
What is the InChIKey of 2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol?
The InChIKey is VKDNIEXYPPCCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)21-16-8-6-14(7-9-16)17(20)12-18-11-15-5-4-10-19(15)3/h4-10,13,17-18,20H,11-12H2,1-3H3.
What are the key properties of 2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol?
2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol has a molecular weight of 288.39 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 111436616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).