[1-[(4-propan-2-ylphenyl)methyl]pyrrol-3-yl]methanamine

C15H20N2 — CID 66410364

IUPAC[1-[(4-propan-2-ylphenyl)methyl]pyrrol-3-yl]methanamine
SMILESCC(C)c1ccc(Cn2ccc(CN)c2)cc1
InChIInChI=1S/C15H20N2/c1-12(2)15-5-3-13(4-6-15)10-17-8-7-14(9-16)11-17/h3-8,11-12H,9-10,16H2,1-2H3
InChIKeyOKGNBSXSJFVZCE-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.12
Rot. Bonds4

About [1-[(4-propan-2-ylphenyl)methyl]pyrrol-3-yl]methanamine

[1-[(4-propan-2-ylphenyl)methyl]pyrrol-3-yl]methanamine (PubChem CID 66410364) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is [1-[(4-propan-2-ylphenyl)methyl]pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-propan-2-ylphenyl)methyl]pyrrol-3-yl]methanamine
PubChem CID66410364
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name[1-[(4-propan-2-ylphenyl)methyl]pyrrol-3-yl]methanamine
SMILESCC(C)c1ccc(Cn2ccc(CN)c2)cc1
InChIInChI=1S/C15H20N2/c1-12(2)15-5-3-13(4-6-15)10-17-8-7-14(9-16)11-17/h3-8,11-12H,9-10,16H2,1-2H3
InChIKeyOKGNBSXSJFVZCE-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]methanamine
CID 66409497
2-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]ethanamine
CID 79982797
[1-(2-fluoropropyl)pyrrol-3-yl]methanamine
CID 84650389
[2-[(4-propan-2-ylphenyl)methyl]imidazo[1,2-a]pyridin-6-yl]methanamine
CID 82223422
1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66404482
1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721205
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine
CID 66409935
1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium
CID 88868802
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrol-3-yl]methanamine
CID 102617081
[1-[(3-methoxyphenyl)methyl]pyrrol-3-yl]methanamine
CID 66408417
4-[[3-(2-aminopropyl)pyrrol-1-yl]methyl]benzonitrile
CID 66404684
[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methanamine
CID 66407745

Frequently Asked Questions

What is the IUPAC name of [1-[(4-propan-2-ylphenyl)methyl]pyrrol-3-yl]methanamine?
The IUPAC name of [1-[(4-propan-2-ylphenyl)methyl]pyrrol-3-yl]methanamine (CID 66410364) is [1-[(4-propan-2-ylphenyl)methyl]pyrrol-3-yl]methanamine.
What is the SMILES notation for [1-[(4-propan-2-ylphenyl)methyl]pyrrol-3-yl]methanamine?
The canonical SMILES for [1-[(4-propan-2-ylphenyl)methyl]pyrrol-3-yl]methanamine is CC(C)c1ccc(Cn2ccc(CN)c2)cc1.
What is the InChIKey of [1-[(4-propan-2-ylphenyl)methyl]pyrrol-3-yl]methanamine?
The InChIKey is OKGNBSXSJFVZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12(2)15-5-3-13(4-6-15)10-17-8-7-14(9-16)11-17/h3-8,11-12H,9-10,16H2,1-2H3.
What are the key properties of [1-[(4-propan-2-ylphenyl)methyl]pyrrol-3-yl]methanamine?
[1-[(4-propan-2-ylphenyl)methyl]pyrrol-3-yl]methanamine has a molecular weight of 228.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-propan-2-ylphenyl)methyl]pyrrol-3-yl]methanamine is sourced from PubChem (CID 66410364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).