1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-amine

C14H16Cl2N2 — CID 79104615

IUPAC1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCCC(N)c1ccn(Cc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H16Cl2N2/c1-2-14(17)10-5-6-18(8-10)9-11-7-12(15)3-4-13(11)16/h3-8,14H,2,9,17H2,1H3
InChIKeyBVUBOIGZZGMDKM-UHFFFAOYSA-N
MW283.20 g/mol
LogP4.25
Rot. Bonds4

About 1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-amine

1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-amine (PubChem CID 79104615) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-amine
PubChem CID79104615
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCCC(N)c1ccn(Cc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H16Cl2N2/c1-2-14(17)10-5-6-18(8-10)9-11-7-12(15)3-4-13(11)16/h3-8,14H,2,9,17H2,1H3
InChIKeyBVUBOIGZZGMDKM-UHFFFAOYSA-N
XLogP4.25
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine
CID 79110166
1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104946
1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]ethanone
CID 79106517
1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104694
[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]methanol
CID 66398066
1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66403663
1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 107307293
1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108923
1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanol
CID 79107502
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105136
(1S)-1-(2,5-dichlorophenyl)propan-1-amine
CID 26342063
1-(1-octylpyrrol-3-yl)propan-1-amine
CID 79105838

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-amine?
The IUPAC name of 1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-amine (CID 79104615) is 1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for 1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-amine?
The canonical SMILES for 1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-amine is CCC(N)c1ccn(Cc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-amine?
The InChIKey is BVUBOIGZZGMDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c1-2-14(17)10-5-6-18(8-10)9-11-7-12(15)3-4-13(11)16/h3-8,14H,2,9,17H2,1H3.
What are the key properties of 1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-amine?
1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-amine has a molecular weight of 283.20 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79104615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).