1-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]propan-2-amine

C16H22N2 — CID 66404865

IUPAC1-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]propan-2-amine
SMILESCc1ccc(Cn2cccc2CC(C)N)cc1C
InChIInChI=1S/C16H22N2/c1-12-6-7-15(9-13(12)2)11-18-8-4-5-16(18)10-14(3)17/h4-9,14H,10-11,17H2,1-3H3
InChIKeyVOTWLLBYSZIGLW-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.04
Rot. Bonds4

About 1-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]propan-2-amine

1-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]propan-2-amine (PubChem CID 66404865) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]propan-2-amine
PubChem CID66404865
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]propan-2-amine
SMILESCc1ccc(Cn2cccc2CC(C)N)cc1C
InChIInChI=1S/C16H22N2/c1-12-6-7-15(9-13(12)2)11-18-8-4-5-16(18)10-14(3)17/h4-9,14H,10-11,17H2,1-3H3
InChIKeyVOTWLLBYSZIGLW-UHFFFAOYSA-N
XLogP3.04
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-2-yl]propan-2-amine
CID 66405861
4-[[2-(2-aminopropyl)pyrrol-1-yl]methyl]-3-methylbenzonitrile
CID 114485920
1-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]propan-2-amine
CID 66404862
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]propan-2-amine
CID 104794838
1-[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-2-yl]butan-2-amine
CID 107887334
1-(3,4-dimethylphenyl)propan-2-amine;sulfuric acid
CID 23619205
1-(1-hexylpyrrol-2-yl)propan-2-amine
CID 66406274
1-[1-[(2-methoxy-5-nitrophenyl)methyl]pyrrol-2-yl]propan-2-amine
CID 66406687
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-2-yl]propan-2-amine
CID 103015071
1-[1-(2-ethoxyethyl)pyrrol-2-yl]propan-2-amine
CID 66406679
(2S)-4-(3,4-dimethylphenyl)butan-2-amine
CID 42077524
1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]propan-2-amine
CID 66404253

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]propan-2-amine?
The IUPAC name of 1-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]propan-2-amine (CID 66404865) is 1-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]propan-2-amine is Cc1ccc(Cn2cccc2CC(C)N)cc1C.
What is the InChIKey of 1-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]propan-2-amine?
The InChIKey is VOTWLLBYSZIGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12-6-7-15(9-13(12)2)11-18-8-4-5-16(18)10-14(3)17/h4-9,14H,10-11,17H2,1-3H3.
What are the key properties of 1-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]propan-2-amine?
1-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]propan-2-amine has a molecular weight of 242.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]propan-2-amine is sourced from PubChem (CID 66404865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).