1-(chloromethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopentan-1-amine

C13H16Cl3N — CID 65025996

IUPAC1-(chloromethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopentan-1-amine
SMILESClCC1(NCc2c(Cl)cccc2Cl)CCCC1
InChIInChI=1S/C13H16Cl3N/c14-9-13(6-1-2-7-13)17-8-10-11(15)4-3-5-12(10)16/h3-5,17H,1-2,6-9H2
InChIKeyKSWYUKDCXRMNDS-UHFFFAOYSA-N
MW292.64 g/mol
LogP4.63
Rot. Bonds4

About 1-(chloromethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopentan-1-amine

1-(chloromethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopentan-1-amine (PubChem CID 65025996) has the molecular formula C13H16Cl3N and a molecular weight of 292.64 g/mol. Its IUPAC name is 1-(chloromethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopentan-1-amine
PubChem CID65025996
Molecular FormulaC13H16Cl3N
Molecular Weight292.64 g/mol
Exact Mass291.03
IUPAC Name1-(chloromethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopentan-1-amine
SMILESClCC1(NCc2c(Cl)cccc2Cl)CCCC1
InChIInChI=1S/C13H16Cl3N/c14-9-13(6-1-2-7-13)17-8-10-11(15)4-3-5-12(10)16/h3-5,17H,1-2,6-9H2
InChIKeyKSWYUKDCXRMNDS-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
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-[(2,6-dichlorophenyl)methylamino]cyclohexyl]methanol
CID 62520254
1-(chloromethyl)-N-(pyrimidin-2-ylmethyl)cyclopentan-1-amine
CID 65026218
1-(chloromethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-amine
CID 106869831
[1-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclopentyl]methanol
CID 83169882
N-[(4-chloro-3-fluorophenyl)methyl]-1-(chloromethyl)cyclopentan-1-amine
CID 107887426
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(2,6-dichlorophenyl)methanamine
CID 113359870
1-(chloromethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 79260980
2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide
CID 114300519
1-(chloromethyl)-N-(pyridin-2-ylmethyl)cyclohexan-1-amine
CID 65024881
N-[(4-chloro-3-fluorophenyl)methyl]-1-(chloromethyl)cyclobutan-1-amine
CID 107887602
1-(chloromethyl)-N-(thiophen-3-ylmethyl)cyclopentan-1-amine
CID 65025594
3-chloro-2-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]phenol
CID 114318191

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopentan-1-amine (CID 65025996) is 1-(chloromethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopentan-1-amine is ClCC1(NCc2c(Cl)cccc2Cl)CCCC1.
What is the InChIKey of 1-(chloromethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopentan-1-amine?
The InChIKey is KSWYUKDCXRMNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3N/c14-9-13(6-1-2-7-13)17-8-10-11(15)4-3-5-12(10)16/h3-5,17H,1-2,6-9H2.
What are the key properties of 1-(chloromethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopentan-1-amine?
1-(chloromethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopentan-1-amine has a molecular weight of 292.64 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 65025996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).