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

C15H20N2 — CID 66404482

IUPAC1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-2-amine
SMILESCc1ccc(Cn2ccc(CC(C)N)c2)cc1
InChIInChI=1S/C15H20N2/c1-12-3-5-14(6-4-12)10-17-8-7-15(11-17)9-13(2)16/h3-8,11,13H,9-10,16H2,1-2H3
InChIKeyZNNOFRVMFWSDAS-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.73
Rot. Bonds4

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

1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-2-amine (PubChem CID 66404482) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-2-amine
PubChem CID66404482
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-2-amine
SMILESCc1ccc(Cn2ccc(CC(C)N)c2)cc1
InChIInChI=1S/C15H20N2/c1-12-3-5-14(6-4-12)10-17-8-7-15(11-17)9-13(2)16/h3-8,11,13H,9-10,16H2,1-2H3
InChIKeyZNNOFRVMFWSDAS-UHFFFAOYSA-N
XLogP2.73
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(2-aminopropyl)pyrrol-1-yl]methyl]benzonitrile
CID 66404684
1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66404476
1-[1-(2-methylpropyl)pyrrol-3-yl]propan-2-amine
CID 66406296
1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-2-amine
CID 66406488
1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine
CID 79261244
1-(1-propylpyrrol-3-yl)propan-2-amine
CID 14739640
1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-2-amine
CID 66406500
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66397357
1-[1-[(4-tert-butylphenyl)methyl]pyrrol-3-yl]butan-2-amine
CID 66398431
1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-2-amine
CID 66398211
[1-[(4-propan-2-ylphenyl)methyl]pyrrol-3-yl]methanamine
CID 66410364
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66404064

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-2-amine?
The IUPAC name of 1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-2-amine (CID 66404482) is 1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-2-amine is Cc1ccc(Cn2ccc(CC(C)N)c2)cc1.
What is the InChIKey of 1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-2-amine?
The InChIKey is ZNNOFRVMFWSDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12-3-5-14(6-4-12)10-17-8-7-15(11-17)9-13(2)16/h3-8,11,13H,9-10,16H2,1-2H3.
What are the key properties of 1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-2-amine?
1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-2-amine has a molecular weight of 228.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-2-amine is sourced from PubChem (CID 66404482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).