cyclopropyl-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]methanamine

C15H16Cl2N2 — CID 79103466

IUPACcyclopropyl-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]methanamine
SMILESNC(c1ccn(Cc2c(Cl)cccc2Cl)c1)C1CC1
InChIInChI=1S/C15H16Cl2N2/c16-13-2-1-3-14(17)12(13)9-19-7-6-11(8-19)15(18)10-4-5-10/h1-3,6-8,10,15H,4-5,9,18H2
InChIKeyYQSQFYCQTYAPTM-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.25
Rot. Bonds4

About cyclopropyl-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]methanamine

cyclopropyl-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]methanamine (PubChem CID 79103466) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is cyclopropyl-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]methanamine
PubChem CID79103466
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Namecyclopropyl-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]methanamine
SMILESNC(c1ccn(Cc2c(Cl)cccc2Cl)c1)C1CC1
InChIInChI=1S/C15H16Cl2N2/c16-13-2-1-3-14(17)12(13)9-19-7-6-11(8-19)15(18)10-4-5-10/h1-3,6-8,10,15H,4-5,9,18H2
InChIKeyYQSQFYCQTYAPTM-UHFFFAOYSA-N
XLogP4.25
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cyclopropyl-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine
CID 79103464
1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79098047
2-[[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]methyl]benzonitrile
CID 79103383
cyclopropyl-[1-(2-methylpropyl)pyrrol-3-yl]methanamine
CID 79104428
[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol
CID 79103370
cyclopropyl-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]methanamine
CID 79104344
[1-[(5-bromothiophen-2-yl)methyl]pyrrol-3-yl]-cyclopropylmethanamine
CID 79104004
3-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]propan-1-ol
CID 79104431
[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-cyclopropylmethanamine
CID 79098652
cyclopropyl-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine
CID 79103302
cyclopropyl-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanamine
CID 79104347
cyclopropyl-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]methanamine
CID 79104518

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]methanamine?
The IUPAC name of cyclopropyl-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]methanamine (CID 79103466) is cyclopropyl-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]methanamine.
What is the SMILES notation for cyclopropyl-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]methanamine?
The canonical SMILES for cyclopropyl-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]methanamine is NC(c1ccn(Cc2c(Cl)cccc2Cl)c1)C1CC1.
What is the InChIKey of cyclopropyl-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]methanamine?
The InChIKey is YQSQFYCQTYAPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c16-13-2-1-3-14(17)12(13)9-19-7-6-11(8-19)15(18)10-4-5-10/h1-3,6-8,10,15H,4-5,9,18H2.
What are the key properties of cyclopropyl-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]methanamine?
cyclopropyl-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]methanamine has a molecular weight of 295.21 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 cyclopropyl-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]methanamine is sourced from PubChem (CID 79103466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).