N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine

C14H17ClN2 — CID 66401762

IUPACN-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
SMILESCCNCc1cccn1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2/c1-2-16-10-14-4-3-9-17(14)11-12-5-7-13(15)8-6-12/h3-9,16H,2,10-11H2,1H3
InChIKeyREPWMBSRAGVNMD-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.30
Rot. Bonds5

About N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine

N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine (PubChem CID 66401762) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
PubChem CID66401762
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC NameN-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
SMILESCCNCc1cccn1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2/c1-2-16-10-14-4-3-9-17(14)11-12-5-7-13(15)8-6-12/h3-9,16H,2,10-11H2,1H3
InChIKeyREPWMBSRAGVNMD-UHFFFAOYSA-N
XLogP3.30
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66403702
5-[[2-(ethylaminomethyl)pyrrol-1-yl]methyl]-2-fluorobenzonitrile
CID 107883296
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402723
N-(4-chlorophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402546
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 42761700
N-[[1-[(3-bromo-5-fluorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 79702420
N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402923
N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine
CID 66402346
4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide
CID 53000346
N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402532
1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-ethoxyphenyl)urea
CID 20951383
N-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]ethanamine
CID 46784899

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine (CID 66401762) is N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine is CCNCc1cccn1Cc1ccc(Cl)cc1.
What is the InChIKey of N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine?
The InChIKey is REPWMBSRAGVNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-2-16-10-14-4-3-9-17(14)11-12-5-7-13(15)8-6-12/h3-9,16H,2,10-11H2,1H3.
What are the key properties of N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine?
N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine has a molecular weight of 248.76 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine is sourced from PubChem (CID 66401762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).