N-[1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]propan-1-amine

C17H24N2 — CID 63409223

IUPACN-[1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1-n1c(C)ccc1C
InChIInChI=1S/C17H24N2/c1-5-12-18-15(4)16-8-6-7-9-17(16)19-13(2)10-11-14(19)3/h6-11,15,18H,5,12H2,1-4H3
InChIKeyBCPMOKUDRMHGCL-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.15
Rot. Bonds5

About N-[1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]propan-1-amine

N-[1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]propan-1-amine (PubChem CID 63409223) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]propan-1-amine
PubChem CID63409223
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-[1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1-n1c(C)ccc1C
InChIInChI=1S/C17H24N2/c1-5-12-18-15(4)16-8-6-7-9-17(16)19-13(2)10-11-14(19)3/h6-11,15,18H,5,12H2,1-4H3
InChIKeyBCPMOKUDRMHGCL-UHFFFAOYSA-N
XLogP4.15
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine
CID 43284031
N-[1-(2-piperidin-1-ylphenyl)ethyl]propan-1-amine
CID 43284321
N-[1-(2-imidazol-1-ylphenyl)ethyl]propan-1-amine
CID 43284758
N-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61238667
N-[1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 62129571
N-[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethyl]propan-1-amine
CID 106314747
N-[1-[2-(3-propan-2-ylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 62489000
N-[1-[2-(3,3-dimethoxyazetidin-1-yl)phenyl]ethyl]propan-1-amine
CID 79678785
3-[2-[1-(propylamino)ethyl]phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 60792685
N-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine
CID 107984713
4,4-dimethyl-1,1-dioxo-2-[2-[1-(propylamino)ethyl]phenyl]thiazetidin-3-one
CID 79875083
N-[1-[2-(4-ethoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 61219586

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]propan-1-amine (CID 63409223) is N-[1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccccc1-n1c(C)ccc1C.
What is the InChIKey of N-[1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is BCPMOKUDRMHGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-5-12-18-15(4)16-8-6-7-9-17(16)19-13(2)10-11-14(19)3/h6-11,15,18H,5,12H2,1-4H3.
What are the key properties of N-[1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]propan-1-amine?
N-[1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 63409223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).