[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]methanamine

C14H18N2 — CID 66409497

IUPAC[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]methanamine
SMILESCc1cc(C)cc(Cn2ccc(CN)c2)c1
InChIInChI=1S/C14H18N2/c1-11-5-12(2)7-14(6-11)10-16-4-3-13(8-15)9-16/h3-7,9H,8,10,15H2,1-2H3
InChIKeyVKWDGOLLANGWMW-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.61
Rot. Bonds3

About [1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]methanamine

[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]methanamine (PubChem CID 66409497) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is [1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]methanamine
PubChem CID66409497
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]methanamine
SMILESCc1cc(C)cc(Cn2ccc(CN)c2)c1
InChIInChI=1S/C14H18N2/c1-11-5-12(2)7-14(6-11)10-16-4-3-13(8-15)9-16/h3-7,9H,8,10,15H2,1-2H3
InChIKeyVKWDGOLLANGWMW-UHFFFAOYSA-N
XLogP2.61
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]methanamine?
The IUPAC name of [1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]methanamine (CID 66409497) is [1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]methanamine.
What is the SMILES notation for [1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]methanamine?
The canonical SMILES for [1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]methanamine is Cc1cc(C)cc(Cn2ccc(CN)c2)c1.
What is the InChIKey of [1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]methanamine?
The InChIKey is VKWDGOLLANGWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11-5-12(2)7-14(6-11)10-16-4-3-13(8-15)9-16/h3-7,9H,8,10,15H2,1-2H3.
What are the key properties of [1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]methanamine?
[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]methanamine has a molecular weight of 214.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]methanamine is sourced from PubChem (CID 66409497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).