1-(2-chlorocyclopentyl)-N-[(2,3-dichlorophenyl)methyl]methanamine

C13H16Cl3N — CID 107310013

IUPAC1-(2-chlorocyclopentyl)-N-[(2,3-dichlorophenyl)methyl]methanamine
SMILESClc1cccc(CNCC2CCCC2Cl)c1Cl
InChIInChI=1S/C13H16Cl3N/c14-11-5-1-3-9(11)7-17-8-10-4-2-6-12(15)13(10)16/h2,4,6,9,11,17H,1,3,5,7-8H2
InChIKeyHMWQQQGRRZCLBE-UHFFFAOYSA-N
MW292.64 g/mol
LogP4.49
Rot. Bonds4

About 1-(2-chlorocyclopentyl)-N-[(2,3-dichlorophenyl)methyl]methanamine

1-(2-chlorocyclopentyl)-N-[(2,3-dichlorophenyl)methyl]methanamine (PubChem CID 107310013) has the molecular formula C13H16Cl3N and a molecular weight of 292.64 g/mol. Its IUPAC name is 1-(2-chlorocyclopentyl)-N-[(2,3-dichlorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chlorocyclopentyl)-N-[(2,3-dichlorophenyl)methyl]methanamine
PubChem CID107310013
Molecular FormulaC13H16Cl3N
Molecular Weight292.64 g/mol
Exact Mass291.03
IUPAC Name1-(2-chlorocyclopentyl)-N-[(2,3-dichlorophenyl)methyl]methanamine
SMILESClc1cccc(CNCC2CCCC2Cl)c1Cl
InChIInChI=1S/C13H16Cl3N/c14-11-5-1-3-9(11)7-17-8-10-4-2-6-12(15)13(10)16/h2,4,6,9,11,17H,1,3,5,7-8H2
InChIKeyHMWQQQGRRZCLBE-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.64
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorocyclopentyl)-N-[(2-chloro-5-fluorophenyl)methyl]methanamine
CID 102620173
1-(2-chlorocyclohexyl)-N-[(2,5-dichlorophenyl)methyl]methanamine
CID 65318503
1-(2-chlorocyclopentyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 104794895
2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926908
N-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7458212
3-[[(2,3-dichlorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270651
[2-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 112652136
1-(2-chlorocyclohexyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 113453890
N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920110
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine
CID 107307055
1-(2-chlorocyclopentyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 79241209

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorocyclopentyl)-N-[(2,3-dichlorophenyl)methyl]methanamine?
The IUPAC name of 1-(2-chlorocyclopentyl)-N-[(2,3-dichlorophenyl)methyl]methanamine (CID 107310013) is 1-(2-chlorocyclopentyl)-N-[(2,3-dichlorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(2-chlorocyclopentyl)-N-[(2,3-dichlorophenyl)methyl]methanamine?
The canonical SMILES for 1-(2-chlorocyclopentyl)-N-[(2,3-dichlorophenyl)methyl]methanamine is Clc1cccc(CNCC2CCCC2Cl)c1Cl.
What is the InChIKey of 1-(2-chlorocyclopentyl)-N-[(2,3-dichlorophenyl)methyl]methanamine?
The InChIKey is HMWQQQGRRZCLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3N/c14-11-5-1-3-9(11)7-17-8-10-4-2-6-12(15)13(10)16/h2,4,6,9,11,17H,1,3,5,7-8H2.
What are the key properties of 1-(2-chlorocyclopentyl)-N-[(2,3-dichlorophenyl)methyl]methanamine?
1-(2-chlorocyclopentyl)-N-[(2,3-dichlorophenyl)methyl]methanamine has a molecular weight of 292.64 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorocyclopentyl)-N-[(2,3-dichlorophenyl)methyl]methanamine is sourced from PubChem (CID 107310013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).