3-chloro-2-(chloromethyl)-N-cyclopentyl-N-ethylaniline

C14H19Cl2N — CID 43541411

IUPAC3-chloro-2-(chloromethyl)-N-cyclopentyl-N-ethylaniline
SMILESCCN(c1cccc(Cl)c1CCl)C1CCCC1
InChIInChI=1S/C14H19Cl2N/c1-2-17(11-6-3-4-7-11)14-9-5-8-13(16)12(14)10-15/h5,8-9,11H,2-4,6-7,10H2,1H3
InChIKeyFRGJVCPIOBPYII-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.85
Rot. Bonds4

About 3-chloro-2-(chloromethyl)-N-cyclopentyl-N-ethylaniline

3-chloro-2-(chloromethyl)-N-cyclopentyl-N-ethylaniline (PubChem CID 43541411) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)-N-cyclopentyl-N-ethylaniline.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)-N-cyclopentyl-N-ethylaniline
PubChem CID43541411
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name3-chloro-2-(chloromethyl)-N-cyclopentyl-N-ethylaniline
SMILESCCN(c1cccc(Cl)c1CCl)C1CCCC1
InChIInChI=1S/C14H19Cl2N/c1-2-17(11-6-3-4-7-11)14-9-5-8-13(16)12(14)10-15/h5,8-9,11H,2-4,6-7,10H2,1H3
InChIKeyFRGJVCPIOBPYII-UHFFFAOYSA-N
XLogP4.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-chloro-6-[cyclohexyl(ethyl)amino]phenyl]methanol
CID 28945722
2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline
CID 28965176
3-chloro-1-N-cyclopentyl-1-N-ethylbenzene-1,2-diamine
CID 104834130
3-chloro-N-cyclohexyl-N-ethyl-2-(propylaminomethyl)aniline
CID 43280959
3-chloro-N-cyclopentyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63059854
3-chloro-2-(chloromethyl)-N-(cyclohexylmethyl)-N-methylaniline
CID 55222137
2-[2-(aminomethyl)-3-chloro-N-cyclobutylanilino]ethanol
CID 102859788
3-chloro-2-(chloromethyl)-N,N-dipropylaniline
CID 28946264
3-chloro-2-(chloromethyl)-N-ethyl-N-phenylaniline
CID 28946393
2-[(1R)-1-aminopropyl]-N-cyclopentyl-N-ethylaniline
CID 103958535
1-N-cyclopentyl-1-N-ethyl-3-methoxybenzene-1,2-diamine
CID 113392522
6-(chloromethyl)-N-cyclohexyl-N-ethylpyridin-2-amine
CID 62254994

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(chloromethyl)-N-cyclopentyl-N-ethylaniline?
The IUPAC name of 3-chloro-2-(chloromethyl)-N-cyclopentyl-N-ethylaniline (CID 43541411) is 3-chloro-2-(chloromethyl)-N-cyclopentyl-N-ethylaniline.
What is the SMILES notation for 3-chloro-2-(chloromethyl)-N-cyclopentyl-N-ethylaniline?
The canonical SMILES for 3-chloro-2-(chloromethyl)-N-cyclopentyl-N-ethylaniline is CCN(c1cccc(Cl)c1CCl)C1CCCC1.
What is the InChIKey of 3-chloro-2-(chloromethyl)-N-cyclopentyl-N-ethylaniline?
The InChIKey is FRGJVCPIOBPYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-2-17(11-6-3-4-7-11)14-9-5-8-13(16)12(14)10-15/h5,8-9,11H,2-4,6-7,10H2,1H3.
What are the key properties of 3-chloro-2-(chloromethyl)-N-cyclopentyl-N-ethylaniline?
3-chloro-2-(chloromethyl)-N-cyclopentyl-N-ethylaniline has a molecular weight of 272.22 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(chloromethyl)-N-cyclopentyl-N-ethylaniline is sourced from PubChem (CID 43541411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).