N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine

C18H26N2 — CID 66405757

IUPACN-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine
SMILESCc1cc(C)c(Cn2ccc(CNC(C)C)c2)c(C)c1
InChIInChI=1S/C18H26N2/c1-13(2)19-10-17-6-7-20(11-17)12-18-15(4)8-14(3)9-16(18)5/h6-9,11,13,19H,10,12H2,1-5H3
InChIKeyBHNZBSKHURKUEO-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.96
Rot. Bonds5

About N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine

N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine (PubChem CID 66405757) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine
PubChem CID66405757
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine
SMILESCc1cc(C)c(Cn2ccc(CNC(C)C)c2)c(C)c1
InChIInChI=1S/C18H26N2/c1-13(2)19-10-17-6-7-20(11-17)12-18-15(4)8-14(3)9-16(18)5/h6-9,11,13,19H,10,12H2,1-5H3
InChIKeyBHNZBSKHURKUEO-UHFFFAOYSA-N
XLogP3.96
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methanamine
CID 66405700
N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66405540
N-[[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 114930907
1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]ethanamine
CID 79102391
N-[[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66406782
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405951
N-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66404959
2-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]propan-1-one
CID 79107999
2-fluoro-5-[[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]methyl]benzonitrile
CID 107883319
N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405357
N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66404949
2-methoxy-5-[[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]methyl]benzonitrile
CID 66404758

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine (CID 66405757) is N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine is Cc1cc(C)c(Cn2ccc(CNC(C)C)c2)c(C)c1.
What is the InChIKey of N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine?
The InChIKey is BHNZBSKHURKUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-13(2)19-10-17-6-7-20(11-17)12-18-15(4)8-14(3)9-16(18)5/h6-9,11,13,19H,10,12H2,1-5H3.
What are the key properties of N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine?
N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine has a molecular weight of 270.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66405757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).