N-[(1-phenylpyrrol-2-yl)methyl]propan-2-amine

C14H18N2 — CID 46784890

IUPACN-[(1-phenylpyrrol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cccn1-c1ccccc1
InChIInChI=1S/C14H18N2/c1-12(2)15-11-14-9-6-10-16(14)13-7-4-3-5-8-13/h3-10,12,15H,11H2,1-2H3
InChIKeyRWWAFODIEVUNMC-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.98
Rot. Bonds4

About N-[(1-phenylpyrrol-2-yl)methyl]propan-2-amine

N-[(1-phenylpyrrol-2-yl)methyl]propan-2-amine (PubChem CID 46784890) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[(1-phenylpyrrol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-phenylpyrrol-2-yl)methyl]propan-2-amine
PubChem CID46784890
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN-[(1-phenylpyrrol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cccn1-c1ccccc1
InChIInChI=1S/C14H18N2/c1-12(2)15-11-14-9-6-10-16(14)13-7-4-3-5-8-13/h3-10,12,15H,11H2,1-2H3
InChIKeyRWWAFODIEVUNMC-UHFFFAOYSA-N
XLogP2.98
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrrol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-phenylpyrrol-2-yl)methyl]propan-2-amine (CID 46784890) is N-[(1-phenylpyrrol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-phenylpyrrol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-phenylpyrrol-2-yl)methyl]propan-2-amine is CC(C)NCc1cccn1-c1ccccc1.
What is the InChIKey of N-[(1-phenylpyrrol-2-yl)methyl]propan-2-amine?
The InChIKey is RWWAFODIEVUNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-12(2)15-11-14-9-6-10-16(14)13-7-4-3-5-8-13/h3-10,12,15H,11H2,1-2H3.
What are the key properties of N-[(1-phenylpyrrol-2-yl)methyl]propan-2-amine?
N-[(1-phenylpyrrol-2-yl)methyl]propan-2-amine has a molecular weight of 214.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrrol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 46784890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).