N-[(4-pyrrol-1-ylphenyl)methyl]propan-1-amine

C14H18N2 — CID 106913309

IUPACN-[(4-pyrrol-1-ylphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(-n2cccc2)cc1
InChIInChI=1S/C14H18N2/c1-2-9-15-12-13-5-7-14(8-6-13)16-10-3-4-11-16/h3-8,10-11,15H,2,9,12H2,1H3
InChIKeyFGBYBIORTWXTKN-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.98
Rot. Bonds5

About N-[(4-pyrrol-1-ylphenyl)methyl]propan-1-amine

N-[(4-pyrrol-1-ylphenyl)methyl]propan-1-amine (PubChem CID 106913309) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[(4-pyrrol-1-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-pyrrol-1-ylphenyl)methyl]propan-1-amine
PubChem CID106913309
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN-[(4-pyrrol-1-ylphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(-n2cccc2)cc1
InChIInChI=1S/C14H18N2/c1-2-9-15-12-13-5-7-14(8-6-13)16-10-3-4-11-16/h3-8,10-11,15H,2,9,12H2,1H3
InChIKeyFGBYBIORTWXTKN-UHFFFAOYSA-N
XLogP2.98
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
N-[(4-propylphenyl)methyl]propan-1-amine
CID 60657533
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N-[[4-(chloromethyl)phenyl]methyl]propan-1-amine
CID 107232944
N-benzylpropan-1-amine;ethane;propane
CID 145164103
N-[[4-(3-propylazetidin-1-yl)phenyl]methyl]propan-1-amine
CID 106913306
N-[[4-(2-methylazetidin-1-yl)phenyl]methyl]propan-1-amine
CID 106913287
N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine
CID 78911236
N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methyl]propan-1-amine
CID 43280829
N-[[4-(3-propan-2-ylazetidin-1-yl)phenyl]methyl]propan-1-amine
CID 106913300
N-[[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]propan-1-amine
CID 102744838
N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 63888318

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrrol-1-ylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-pyrrol-1-ylphenyl)methyl]propan-1-amine (CID 106913309) is N-[(4-pyrrol-1-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-pyrrol-1-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-pyrrol-1-ylphenyl)methyl]propan-1-amine is CCCNCc1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[(4-pyrrol-1-ylphenyl)methyl]propan-1-amine?
The InChIKey is FGBYBIORTWXTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-9-15-12-13-5-7-14(8-6-13)16-10-3-4-11-16/h3-8,10-11,15H,2,9,12H2,1H3.
What are the key properties of N-[(4-pyrrol-1-ylphenyl)methyl]propan-1-amine?
N-[(4-pyrrol-1-ylphenyl)methyl]propan-1-amine has a molecular weight of 214.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrrol-1-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 106913309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).