N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine

C15H20N2 — CID 66402346

IUPACN-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine
SMILESCCNCc1cccn1CCc1ccccc1
InChIInChI=1S/C15H20N2/c1-2-16-13-15-9-6-11-17(15)12-10-14-7-4-3-5-8-14/h3-9,11,16H,2,10,12-13H2,1H3
InChIKeyFJHCPLDTPYVVNO-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.84
Rot. Bonds6

About N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine

N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine (PubChem CID 66402346) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine
PubChem CID66402346
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine
SMILESCCNCc1cccn1CCc1ccccc1
InChIInChI=1S/C15H20N2/c1-2-16-13-15-9-6-11-17(15)12-10-14-7-4-3-5-8-14/h3-9,11,16H,2,10,12-13H2,1H3
InChIKeyFJHCPLDTPYVVNO-UHFFFAOYSA-N
XLogP2.84
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66412851
2-methyl-N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66401243
3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
CID 66411689
N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402920
N-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]ethanamine
CID 46784899
N-[(1-decylpyrrol-2-yl)methyl]ethanamine
CID 66402163
[1-(2-phenylethyl)pyrrol-2-yl]methanamine
CID 66408175
N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine
CID 66402534
N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66401762
N-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine
CID 66403308
N-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine
CID 79102162
N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66403702

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine (CID 66402346) is N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine is CCNCc1cccn1CCc1ccccc1.
What is the InChIKey of N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine?
The InChIKey is FJHCPLDTPYVVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-16-13-15-9-6-11-17(15)12-10-14-7-4-3-5-8-14/h3-9,11,16H,2,10,12-13H2,1H3.
What are the key properties of N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine?
N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine has a molecular weight of 228.34 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine is sourced from PubChem (CID 66402346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).