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

C17H24N2O — CID 43090159

IUPACN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C17H24N2O/c1-14-12-16(13-18-10-7-11-20-3)15(2)19(14)17-8-5-4-6-9-17/h4-6,8-9,12,18H,7,10-11,13H2,1-3H3
InChIKeyVXSVIXVKTLZTGQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.22
Rot. Bonds7

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

N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-methoxypropan-1-amine (PubChem CID 43090159) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-methoxypropan-1-amine
PubChem CID43090159
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C17H24N2O/c1-14-12-16(13-18-10-7-11-20-3)15(2)19(14)17-8-5-4-6-9-17/h4-6,8-9,12,18H,7,10-11,13H2,1-3H3
InChIKeyVXSVIXVKTLZTGQ-UHFFFAOYSA-N
XLogP3.22
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-ethoxypropan-1-amine
CID 43235432
4-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]butanamide
CID 60865560
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methoxybutan-2-amine
CID 64600295
3-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]propanamide
CID 43553150
N-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]butan-1-amine
CID 50850628
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62636061
N-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methyl]butan-1-amine
CID 50850582
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-prop-2-ynylsulfanylethanamine
CID 106426179
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-methylpropan-2-amine
CID 43154800
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]-1-(1H-pyrazol-5-yl)methanamine
CID 61284885
3-methoxy-N-[(1-phenylpyrrol-2-yl)methyl]propan-1-amine
CID 50850472

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-methoxypropan-1-amine (CID 43090159) is N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-methoxypropan-1-amine is COCCCNCc1cc(C)n(-c2ccccc2)c1C.
What is the InChIKey of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-methoxypropan-1-amine?
The InChIKey is VXSVIXVKTLZTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-14-12-16(13-18-10-7-11-20-3)15(2)19(14)17-8-5-4-6-9-17/h4-6,8-9,12,18H,7,10-11,13H2,1-3H3.
What are the key properties of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-methoxypropan-1-amine?
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-methoxypropan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 43090159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).