[1-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methanamine

C12H13Cl2N — CID 65353243

IUPAC[1-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methanamine
SMILESNCC1(c2ccc(Cl)cc2Cl)CC=CC1
InChIInChI=1S/C12H13Cl2N/c13-9-3-4-10(11(14)7-9)12(8-15)5-1-2-6-12/h1-4,7H,5-6,8,15H2
InChIKeyPHLLXUSMMUFPBT-UHFFFAOYSA-N
MW242.15 g/mol
LogP3.54
Rot. Bonds2

About [1-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methanamine

[1-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methanamine (PubChem CID 65353243) has the molecular formula C12H13Cl2N and a molecular weight of 242.15 g/mol. Its IUPAC name is [1-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methanamine.

Molecular Properties

Compound Name[1-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methanamine
PubChem CID65353243
Molecular FormulaC12H13Cl2N
Molecular Weight242.15 g/mol
Exact Mass241.04
IUPAC Name[1-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methanamine
SMILESNCC1(c2ccc(Cl)cc2Cl)CC=CC1
InChIInChI=1S/C12H13Cl2N/c13-9-3-4-10(11(14)7-9)12(8-15)5-1-2-6-12/h1-4,7H,5-6,8,15H2
InChIKeyPHLLXUSMMUFPBT-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methanamine
CID 65017030
[1-(2,4-dichlorophenyl)-3-propylcyclobutyl]methanamine
CID 65013516
[1-(4-chlorophenyl)cyclopent-3-en-1-yl]methanamine
CID 65353191
2-[1-(aminomethyl)cyclopentyl]-5-chlorophenol
CID 131279076
2-[1-(aminomethyl)cyclopent-3-en-1-yl]phenol
CID 115063001
[1-[2-chloro-4-(fluoromethyl)phenyl]cyclobutyl]methanamine
CID 117327861
2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
CID 131368937
[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]methanamine
CID 116829642
[1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine
CID 117310225
[2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolan-2-yl]methanamine
CID 142628137
[4-(4-chloro-2-methylphenyl)oxan-4-yl]methanamine
CID 83824742
1-[5-(2,4-dichlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine
CID 65008881

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methanamine?
The IUPAC name of [1-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methanamine (CID 65353243) is [1-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methanamine.
What is the SMILES notation for [1-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methanamine?
The canonical SMILES for [1-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methanamine is NCC1(c2ccc(Cl)cc2Cl)CC=CC1.
What is the InChIKey of [1-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methanamine?
The InChIKey is PHLLXUSMMUFPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N/c13-9-3-4-10(11(14)7-9)12(8-15)5-1-2-6-12/h1-4,7H,5-6,8,15H2.
What are the key properties of [1-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methanamine?
[1-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methanamine has a molecular weight of 242.15 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methanamine is sourced from PubChem (CID 65353243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).