N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine

C16H22N2O — CID 5024229

IUPACN-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccccc1-n1cccc1CNC(C)(C)C
InChIInChI=1S/C16H22N2O/c1-16(2,3)17-12-13-8-7-11-18(13)14-9-5-6-10-15(14)19-4/h5-11,17H,12H2,1-4H3
InChIKeyKPTCPDKQOGBHKN-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.37
Rot. Bonds4

About N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine

N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 5024229) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID5024229
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccccc1-n1cccc1CNC(C)(C)C
InChIInChI=1S/C16H22N2O/c1-16(2,3)17-12-13-8-7-11-18(13)14-9-5-6-10-15(14)19-4/h5-11,17H,12H2,1-4H3
InChIKeyKPTCPDKQOGBHKN-UHFFFAOYSA-N
XLogP3.37
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-methoxyphenyl)pyrrol-2-yl]propan-1-amine
CID 170879075
N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-N-methyl-1-phenylmethanamine
CID 5104530
N-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446918
3-(benzylamino)-1-(2-methoxyphenyl)pyrazin-2-one
CID 18591898
N-[[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 106261698
N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446934
N-[(3-tert-butylimidazol-4-yl)methyl]-2-(2-methoxyphenyl)propan-2-amine
CID 58313603
N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66401246
2-methyl-N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66401243
3-(2-methoxyphenyl)imidazo[4,5-b]pyridine
CID 117166289
N-tert-butyl-4-(2-methoxyphenoxy)butan-1-amine
CID 2248871
1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine (CID 5024229) is N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine is COc1ccccc1-n1cccc1CNC(C)(C)C.
What is the InChIKey of N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is KPTCPDKQOGBHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-16(2,3)17-12-13-8-7-11-18(13)14-9-5-6-10-15(14)19-4/h5-11,17H,12H2,1-4H3.
What are the key properties of N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 258.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 5024229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).