N'-[(5-chloro-2,4-difluorophenyl)methyl]ethane-1,2-diamine

C9H11ClF2N2 — CID 163922038

IUPACN'-[(5-chloro-2,4-difluorophenyl)methyl]ethane-1,2-diamine
SMILESNCCNCc1cc(Cl)c(F)cc1F
InChIInChI=1S/C9H11ClF2N2/c10-7-3-6(5-14-2-1-13)8(11)4-9(7)12/h3-4,14H,1-2,5,13H2
InChIKeyRBFMNJRHROUKNG-UHFFFAOYSA-N
MW220.65 g/mol
LogP1.67
Rot. Bonds4

About N'-[(5-chloro-2,4-difluorophenyl)methyl]ethane-1,2-diamine

N'-[(5-chloro-2,4-difluorophenyl)methyl]ethane-1,2-diamine (PubChem CID 163922038) has the molecular formula C9H11ClF2N2 and a molecular weight of 220.65 g/mol. Its IUPAC name is N'-[(5-chloro-2,4-difluorophenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-chloro-2,4-difluorophenyl)methyl]ethane-1,2-diamine
PubChem CID163922038
Molecular FormulaC9H11ClF2N2
Molecular Weight220.65 g/mol
Exact Mass220.06
IUPAC NameN'-[(5-chloro-2,4-difluorophenyl)methyl]ethane-1,2-diamine
SMILESNCCNCc1cc(Cl)c(F)cc1F
InChIInChI=1S/C9H11ClF2N2/c10-7-3-6(5-14-2-1-13)8(11)4-9(7)12/h3-4,14H,1-2,5,13H2
InChIKeyRBFMNJRHROUKNG-UHFFFAOYSA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.65
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[(5-chloro-2,4-difluorophenyl)methyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine
CID 70310877
N-[(4-chloro-2,5-difluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 113405315
N'-[(4,6-difluoro-3-pyridinyl)methyl]ethane-1,2-diamine
CID 21271663
1-(2-chlorophenyl)-N-[(2,4,5-trifluorophenyl)methyl]methanamine
CID 103792288
1-chloro-2,4-difluoro-5-(fluoromethyl)benzene
CID 118802249
3-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 84778847
(2R)-2-N-[(4-chloro-2,5-difluorophenyl)methyl]propane-1,2-diamine
CID 104867950
4-[(2-aminoethylamino)methyl]-3-fluorobenzonitrile
CID 62140338
N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115733095
N'-[[2-[(2-aminoethylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 86255808
N-[(2,5-dichlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115762676
1-(5-chloro-2,4-difluorophenyl)propan-2-amine
CID 117294361

Frequently Asked Questions

What is the IUPAC name of N'-[(5-chloro-2,4-difluorophenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(5-chloro-2,4-difluorophenyl)methyl]ethane-1,2-diamine (CID 163922038) is N'-[(5-chloro-2,4-difluorophenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(5-chloro-2,4-difluorophenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(5-chloro-2,4-difluorophenyl)methyl]ethane-1,2-diamine is NCCNCc1cc(Cl)c(F)cc1F.
What is the InChIKey of N'-[(5-chloro-2,4-difluorophenyl)methyl]ethane-1,2-diamine?
The InChIKey is RBFMNJRHROUKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF2N2/c10-7-3-6(5-14-2-1-13)8(11)4-9(7)12/h3-4,14H,1-2,5,13H2.
What are the key properties of N'-[(5-chloro-2,4-difluorophenyl)methyl]ethane-1,2-diamine?
N'-[(5-chloro-2,4-difluorophenyl)methyl]ethane-1,2-diamine has a molecular weight of 220.65 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-chloro-2,4-difluorophenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 163922038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).