N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-pyrrol-5-amine

C16H24N2 — CID 4266997

IUPACN-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC(C)Cc1ccc(C(C)NC2=NCCC2)cc1
InChIInChI=1S/C16H24N2/c1-12(2)11-14-6-8-15(9-7-14)13(3)18-16-5-4-10-17-16/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyUJDUKPHQEOQLCT-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.73
Rot. Bonds4

About N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 4266997) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID4266997
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC(C)Cc1ccc(C(C)NC2=NCCC2)cc1
InChIInChI=1S/C16H24N2/c1-12(2)11-14-6-8-15(9-7-14)13(3)18-16-5-4-10-17-16/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyUJDUKPHQEOQLCT-UHFFFAOYSA-N
XLogP3.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 4266997) is N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-pyrrol-5-amine is CC(C)Cc1ccc(C(C)NC2=NCCC2)cc1.
What is the InChIKey of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is UJDUKPHQEOQLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12(2)11-14-6-8-15(9-7-14)13(3)18-16-5-4-10-17-16/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,17,18).
What are the key properties of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 244.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 4266997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).