(E)-3-(2-pyrrolidin-1-ylphenyl)prop-2-en-1-amine

C13H18N2 — CID 117291108

IUPAC(E)-3-(2-pyrrolidin-1-ylphenyl)prop-2-en-1-amine
SMILESNC/C=C/c1ccccc1N1CCCC1
InChIInChI=1S/C13H18N2/c14-9-5-7-12-6-1-2-8-13(12)15-10-3-4-11-15/h1-2,5-8H,3-4,9-11,14H2/b7-5+
InChIKeyAATMCMNXJDGLOD-FNORWQNLSA-N
MW202.30 g/mol
LogP2.26
Rot. Bonds3

About (E)-3-(2-pyrrolidin-1-ylphenyl)prop-2-en-1-amine

(E)-3-(2-pyrrolidin-1-ylphenyl)prop-2-en-1-amine (PubChem CID 117291108) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (E)-3-(2-pyrrolidin-1-ylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2-pyrrolidin-1-ylphenyl)prop-2-en-1-amine
PubChem CID117291108
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(E)-3-(2-pyrrolidin-1-ylphenyl)prop-2-en-1-amine
SMILESNC/C=C/c1ccccc1N1CCCC1
InChIInChI=1S/C13H18N2/c14-9-5-7-12-6-1-2-8-13(12)15-10-3-4-11-15/h1-2,5-8H,3-4,9-11,14H2/b7-5+
InChIKeyAATMCMNXJDGLOD-FNORWQNLSA-N
XLogP2.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-morpholin-4-ylphenyl)prop-2-en-1-amine
CID 169464674
(2E,4E)-5-(2-pyrrolidin-1-ylphenyl)penta-2,4-dienal
CID 143638842
(E)-3-[2-(azocan-1-yl)phenyl]prop-2-enoic acid
CID 29019087
benzyl N-[3-(2-pyrrolidin-1-ylphenyl)prop-2-enyl]carbamate
CID 169472848
1-[2-[(E)-3-aminoprop-1-enyl]phenyl]-3-propan-2-ylimidazolidin-2-one
CID 117402443
(E)-4-[4-(2-chlorophenyl)piperazin-1-yl]but-2-en-1-amine
CID 66046563
2-(3-aminoprop-1-enyl)aniline
CID 67152713
N-methyl-3-(2-morpholin-4-ylphenyl)prop-2-en-1-amine
CID 169474776
methyl 3-(2-piperidin-1-ylphenyl)prop-2-enoate
CID 169479575
(E)-3-(4-fluoro-2-morpholin-4-ylphenyl)prop-2-en-1-amine
CID 115111111
[1-(2-fluorophenyl)azepan-3-yl]methanamine
CID 84687805
(1R)-2-cyclopentyl-1-(2-piperidin-1-ylphenyl)ethanamine
CID 129363780

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-pyrrolidin-1-ylphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(2-pyrrolidin-1-ylphenyl)prop-2-en-1-amine (CID 117291108) is (E)-3-(2-pyrrolidin-1-ylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(2-pyrrolidin-1-ylphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(2-pyrrolidin-1-ylphenyl)prop-2-en-1-amine is NC/C=C/c1ccccc1N1CCCC1.
What is the InChIKey of (E)-3-(2-pyrrolidin-1-ylphenyl)prop-2-en-1-amine?
The InChIKey is AATMCMNXJDGLOD-FNORWQNLSA-N. The full InChI is InChI=1S/C13H18N2/c14-9-5-7-12-6-1-2-8-13(12)15-10-3-4-11-15/h1-2,5-8H,3-4,9-11,14H2/b7-5+.
What are the key properties of (E)-3-(2-pyrrolidin-1-ylphenyl)prop-2-en-1-amine?
(E)-3-(2-pyrrolidin-1-ylphenyl)prop-2-en-1-amine has a molecular weight of 202.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-pyrrolidin-1-ylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117291108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).