3-phenyl-3-propan-2-yl-2,4-dihydropyrrol-5-amine

C13H18N2 — CID 139660847

IUPAC3-phenyl-3-propan-2-yl-2,4-dihydropyrrol-5-amine
SMILESCC(C)C1(c2ccccc2)CN=C(N)C1
InChIInChI=1S/C13H18N2/c1-10(2)13(8-12(14)15-9-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,14,15)
InChIKeyCTCCUNZJJLWINS-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.34
Rot. Bonds2

About 3-phenyl-3-propan-2-yl-2,4-dihydropyrrol-5-amine

3-phenyl-3-propan-2-yl-2,4-dihydropyrrol-5-amine (PubChem CID 139660847) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-phenyl-3-propan-2-yl-2,4-dihydropyrrol-5-amine.

Molecular Properties

Compound Name3-phenyl-3-propan-2-yl-2,4-dihydropyrrol-5-amine
PubChem CID139660847
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3-phenyl-3-propan-2-yl-2,4-dihydropyrrol-5-amine
SMILESCC(C)C1(c2ccccc2)CN=C(N)C1
InChIInChI=1S/C13H18N2/c1-10(2)13(8-12(14)15-9-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,14,15)
InChIKeyCTCCUNZJJLWINS-UHFFFAOYSA-N
XLogP2.34
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-propan-2-yl-2,4-dihydropyrrol-5-amine?
The IUPAC name of 3-phenyl-3-propan-2-yl-2,4-dihydropyrrol-5-amine (CID 139660847) is 3-phenyl-3-propan-2-yl-2,4-dihydropyrrol-5-amine.
What is the SMILES notation for 3-phenyl-3-propan-2-yl-2,4-dihydropyrrol-5-amine?
The canonical SMILES for 3-phenyl-3-propan-2-yl-2,4-dihydropyrrol-5-amine is CC(C)C1(c2ccccc2)CN=C(N)C1.
What is the InChIKey of 3-phenyl-3-propan-2-yl-2,4-dihydropyrrol-5-amine?
The InChIKey is CTCCUNZJJLWINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10(2)13(8-12(14)15-9-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,14,15).
What are the key properties of 3-phenyl-3-propan-2-yl-2,4-dihydropyrrol-5-amine?
3-phenyl-3-propan-2-yl-2,4-dihydropyrrol-5-amine has a molecular weight of 202.30 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-propan-2-yl-2,4-dihydropyrrol-5-amine is sourced from PubChem (CID 139660847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).