2-phenyl-2-pyrrol-1-ylethanamine

C12H14N2 — CID 63763733

IUPAC2-phenyl-2-pyrrol-1-ylethanamine
SMILESNCC(c1ccccc1)n1cccc1
InChIInChI=1S/C12H14N2/c13-10-12(14-8-4-5-9-14)11-6-2-1-3-7-11/h1-9,12H,10,13H2
InChIKeySSQNETZEYAKUES-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.04
Rot. Bonds3

About 2-phenyl-2-pyrrol-1-ylethanamine

2-phenyl-2-pyrrol-1-ylethanamine (PubChem CID 63763733) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-phenyl-2-pyrrol-1-ylethanamine.

Molecular Properties

Compound Name2-phenyl-2-pyrrol-1-ylethanamine
PubChem CID63763733
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-phenyl-2-pyrrol-1-ylethanamine
SMILESNCC(c1ccccc1)n1cccc1
InChIInChI=1S/C12H14N2/c13-10-12(14-8-4-5-9-14)11-6-2-1-3-7-11/h1-9,12H,10,13H2
InChIKeySSQNETZEYAKUES-UHFFFAOYSA-N
XLogP2.04
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-amino-1-pyrrol-1-ylethyl)phenol
CID 82021308
1-(2-amino-1-phenylethyl)pyrrolidin-3-ol
CID 62941324
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine
CID 16642936
2-(4-benzylpiperazin-1-yl)-2-phenylethanamine
CID 18071222
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine
CID 23620364
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride
CID 23620363
2-benzhydryl-3,3-diphenylpropan-1-amine
CID 139723407
4-(4-ethylphenyl)-4-pyrrol-1-ylbutanoic acid
CID 112519048
2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine
CID 106316761
4-(2-amino-1-phenylethyl)-3-methylpiperazine-2,6-dione
CID 66061881
8-(2-amino-1-phenylethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 63763734
(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
CID 9160808

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-pyrrol-1-ylethanamine?
The IUPAC name of 2-phenyl-2-pyrrol-1-ylethanamine (CID 63763733) is 2-phenyl-2-pyrrol-1-ylethanamine.
What is the SMILES notation for 2-phenyl-2-pyrrol-1-ylethanamine?
The canonical SMILES for 2-phenyl-2-pyrrol-1-ylethanamine is NCC(c1ccccc1)n1cccc1.
What is the InChIKey of 2-phenyl-2-pyrrol-1-ylethanamine?
The InChIKey is SSQNETZEYAKUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-10-12(14-8-4-5-9-14)11-6-2-1-3-7-11/h1-9,12H,10,13H2.
What are the key properties of 2-phenyl-2-pyrrol-1-ylethanamine?
2-phenyl-2-pyrrol-1-ylethanamine has a molecular weight of 186.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-pyrrol-1-ylethanamine is sourced from PubChem (CID 63763733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).