1-phenyl-2-pyrrolidin-1-ylethanamine

C12H18N2 — CID 3252679

IUPAC1-phenyl-2-pyrrolidin-1-ylethanamine
SMILESNC(CN1CCCC1)c1ccccc1
InChIInChI=1S/C12H18N2/c13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,13H2
InChIKeyNIIHRUKAVZEIRO-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.78
Rot. Bonds3

About 1-phenyl-2-pyrrolidin-1-ylethanamine

1-phenyl-2-pyrrolidin-1-ylethanamine (PubChem CID 3252679) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-phenyl-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name1-phenyl-2-pyrrolidin-1-ylethanamine
PubChem CID3252679
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-phenyl-2-pyrrolidin-1-ylethanamine
SMILESNC(CN1CCCC1)c1ccccc1
InChIInChI=1S/C12H18N2/c13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,13H2
InChIKeyNIIHRUKAVZEIRO-UHFFFAOYSA-N
XLogP1.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 1-phenyl-2-pyrrolidin-1-ylethanamine (CID 3252679) is 1-phenyl-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 1-phenyl-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 1-phenyl-2-pyrrolidin-1-ylethanamine is NC(CN1CCCC1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-pyrrolidin-1-ylethanamine?
The InChIKey is NIIHRUKAVZEIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,13H2.
What are the key properties of 1-phenyl-2-pyrrolidin-1-ylethanamine?
1-phenyl-2-pyrrolidin-1-ylethanamine has a molecular weight of 190.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 3252679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).