N-methyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine

C16H22N2 — CID 79105497

IUPACN-methyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCCC(NC)c1ccn(Cc2ccc(C)cc2)c1
InChIInChI=1S/C16H22N2/c1-4-16(17-3)15-9-10-18(12-15)11-14-7-5-13(2)6-8-14/h5-10,12,16-17H,4,11H2,1-3H3
InChIKeyFKEQEGRYGDZCHX-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.52
Rot. Bonds5

About N-methyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine

N-methyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine (PubChem CID 79105497) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-methyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine
PubChem CID79105497
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-methyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCCC(NC)c1ccn(Cc2ccc(C)cc2)c1
InChIInChI=1S/C16H22N2/c1-4-16(17-3)15-9-10-18(12-15)11-14-7-5-13(2)6-8-14/h5-10,12,16-17H,4,11H2,1-3H3
InChIKeyFKEQEGRYGDZCHX-UHFFFAOYSA-N
XLogP3.52
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 79105423
N-methyl-1-[1-[(4-nitrophenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104965
1-[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 107883348
N-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108123
1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 79105867
1-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 114084623
N-methyl-1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104806
N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]propan-1-amine
CID 79109475
N-ethyl-1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104817
1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrol-3-yl]-N-ethylpropan-1-amine
CID 106865936
1-[1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 106265038
N-methyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104717

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine?
The IUPAC name of N-methyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine (CID 79105497) is N-methyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine?
The canonical SMILES for N-methyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine is CCC(NC)c1ccn(Cc2ccc(C)cc2)c1.
What is the InChIKey of N-methyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine?
The InChIKey is FKEQEGRYGDZCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-4-16(17-3)15-9-10-18(12-15)11-14-7-5-13(2)6-8-14/h5-10,12,16-17H,4,11H2,1-3H3.
What are the key properties of N-methyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine?
N-methyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79105497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).