N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-methylpropan-2-amine

C17H24N2 — CID 43154800

IUPACN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-methylpropan-2-amine
SMILESCc1cc(CNC(C)(C)C)c(C)n1-c1ccccc1
InChIInChI=1S/C17H24N2/c1-13-11-15(12-18-17(3,4)5)14(2)19(13)16-9-7-6-8-10-16/h6-11,18H,12H2,1-5H3
InChIKeyLSSQONBVRKRZIU-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.98
Rot. Bonds3

About N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-methylpropan-2-amine

N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-methylpropan-2-amine (PubChem CID 43154800) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-methylpropan-2-amine
PubChem CID43154800
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-methylpropan-2-amine
SMILESCc1cc(CNC(C)(C)C)c(C)n1-c1ccccc1
InChIInChI=1S/C17H24N2/c1-13-11-15(12-18-17(3,4)5)14(2)19(13)16-9-7-6-8-10-16/h6-11,18H,12H2,1-5H3
InChIKeyLSSQONBVRKRZIU-UHFFFAOYSA-N
XLogP3.98
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]-2-methylbutan-1-ol
CID 64550358
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-methylmethanamine
CID 43090175
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methylpentan-2-amine
CID 43371760
2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]propanoic acid
CID 61499817
1-[4-[(dimethylamino)methyl]phenyl]-N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]methanamine
CID 46946071
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-methoxypropan-1-amine
CID 43090159
3-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]propanamide
CID 43553150
2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide
CID 43214585
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62636061
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-ethoxypropan-1-amine
CID 43235432
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methoxybutan-2-amine
CID 64600295
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
CID 61284885

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-methylpropan-2-amine (CID 43154800) is N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-methylpropan-2-amine is Cc1cc(CNC(C)(C)C)c(C)n1-c1ccccc1.
What is the InChIKey of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is LSSQONBVRKRZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-13-11-15(12-18-17(3,4)5)14(2)19(13)16-9-7-6-8-10-16/h6-11,18H,12H2,1-5H3.
What are the key properties of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-methylpropan-2-amine?
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 256.39 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 43154800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).