[3-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]methanamine

C12H16N2 — CID 163959689

IUPAC[3-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]methanamine
SMILESCC1C=CN(c2cccc(CN)c2)C1
InChIInChI=1S/C12H16N2/c1-10-5-6-14(9-10)12-4-2-3-11(7-12)8-13/h2-7,10H,8-9,13H2,1H3
InChIKeySGKGXPTWVABPER-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.12
Rot. Bonds2

About [3-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]methanamine

[3-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]methanamine (PubChem CID 163959689) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is [3-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]methanamine
PubChem CID163959689
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name[3-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]methanamine
SMILESCC1C=CN(c2cccc(CN)c2)C1
InChIInChI=1S/C12H16N2/c1-10-5-6-14(9-10)12-4-2-3-11(7-12)8-13/h2-7,10H,8-9,13H2,1H3
InChIKeySGKGXPTWVABPER-UHFFFAOYSA-N
XLogP2.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol
CID 106667658
[3-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine
CID 84670926
3-[3-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one
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1-[3-(aminomethyl)phenyl]-3,4-dimethylimidazolidin-2-one
CID 116981908
[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine
CID 84777953
[3-(3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine
CID 84777501
2-[4-[3-(aminomethyl)phenyl]-3-methylpiperazin-1-yl]acetamide
CID 174464780
[4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol
CID 102932040
[3-(3-methylmorpholin-4-yl)phenyl]methanamine
CID 102813467
[3-(5H-1,2-oxazol-2-yl)phenyl]methanamine
CID 139933677
4-[3-(aminomethyl)phenyl]-3-methylpiperazin-2-one
CID 102813996
[3-(3-fluoropiperidin-1-yl)phenyl]methanamine
CID 115025964

Frequently Asked Questions

What is the IUPAC name of [3-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]methanamine?
The IUPAC name of [3-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]methanamine (CID 163959689) is [3-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]methanamine?
The canonical SMILES for [3-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]methanamine is CC1C=CN(c2cccc(CN)c2)C1.
What is the InChIKey of [3-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]methanamine?
The InChIKey is SGKGXPTWVABPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-10-5-6-14(9-10)12-4-2-3-11(7-12)8-13/h2-7,10H,8-9,13H2,1H3.
What are the key properties of [3-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]methanamine?
[3-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]methanamine has a molecular weight of 188.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]methanamine is sourced from PubChem (CID 163959689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).