N'-cyclopropyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine

C14H19Cl2FN2 — CID 62975546

IUPACN'-cyclopropyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
SMILESCC(NCCN(C)C1CC1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2FN2/c1-9(18-5-6-19(2)10-3-4-10)11-7-14(17)13(16)8-12(11)15/h7-10,18H,3-6H2,1-2H3
InChIKeyBRAZPSCKNXTAIC-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.88
Rot. Bonds6

About N'-cyclopropyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine

N'-cyclopropyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine (PubChem CID 62975546) has the molecular formula C14H19Cl2FN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is N'-cyclopropyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
PubChem CID62975546
Molecular FormulaC14H19Cl2FN2
Molecular Weight305.22 g/mol
Exact Mass304.09
IUPAC NameN'-cyclopropyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
SMILESCC(NCCN(C)C1CC1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2FN2/c1-9(18-5-6-19(2)10-3-4-10)11-7-14(17)13(16)8-12(11)15/h7-10,18H,3-6H2,1-2H3
InChIKeyBRAZPSCKNXTAIC-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclohexylethyl)-1-(2,4-dichloro-5-fluorophenyl)ethanamine
CID 63450527
N-[2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706405
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]butan-1-ol
CID 106840626
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]octan-1-amine
CID 115566984
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]prop-2-en-1-amine
CID 43231321
2-[1-[2-[cyclopentyl(methyl)amino]ethylamino]ethyl]-5-fluorophenol
CID 63318425
1-(2,4-dichloro-5-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43223896
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,4-dichloro-5-fluorophenyl)ethanamine
CID 106041218
N'-cyclopropyl-N'-methyl-N-(1-phenylethyl)ethane-1,2-diamine
CID 62975342
N-[(4-chloro-3-fluorophenyl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62975741
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]butanoic acid
CID 60782893
5-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]pentanamide
CID 103529766

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine (CID 62975546) is N'-cyclopropyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine is CC(NCCN(C)C1CC1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of N'-cyclopropyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is BRAZPSCKNXTAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2FN2/c1-9(18-5-6-19(2)10-3-4-10)11-7-14(17)13(16)8-12(11)15/h7-10,18H,3-6H2,1-2H3.
What are the key properties of N'-cyclopropyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine?
N'-cyclopropyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 305.22 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62975546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).