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

C12H15ClF2N2 — CID 113405315

IUPACN-[(4-chloro-2,5-difluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine
SMILESFc1cc(CNCCNC2CC2)c(F)cc1Cl
InChIInChI=1S/C12H15ClF2N2/c13-10-6-11(14)8(5-12(10)15)7-16-3-4-17-9-1-2-9/h5-6,9,16-17H,1-4,7H2
InChIKeyGYZKIGKACQTTGO-UHFFFAOYSA-N
MW260.71 g/mol
LogP2.46
Rot. Bonds6

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

N-[(4-chloro-2,5-difluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine (PubChem CID 113405315) has the molecular formula C12H15ClF2N2 and a molecular weight of 260.71 g/mol. Its IUPAC name is N-[(4-chloro-2,5-difluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4-chloro-2,5-difluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine
PubChem CID113405315
Molecular FormulaC12H15ClF2N2
Molecular Weight260.71 g/mol
Exact Mass260.09
IUPAC NameN-[(4-chloro-2,5-difluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine
SMILESFc1cc(CNCCNC2CC2)c(F)cc1Cl
InChIInChI=1S/C12H15ClF2N2/c13-10-6-11(14)8(5-12(10)15)7-16-3-4-17-9-1-2-9/h5-6,9,16-17H,1-4,7H2
InChIKeyGYZKIGKACQTTGO-UHFFFAOYSA-N
XLogP2.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.71
LogP ≤ 52.46
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'}

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Related Compounds

N-[(4-chloro-2,5-difluorophenyl)methyl]cyclopentanamine
CID 82781872
N-[(4-bromo-2-fluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 115619711
N'-[(5-chloro-2,4-difluorophenyl)methyl]ethane-1,2-diamine
CID 163922038
N-[(4-chloro-3-fluorophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 114024463
N-[(2-chloro-4-methoxyphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 115206971
N-[(4-chloro-2-methoxyphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 113405316
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine
CID 80503769
N'-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]propane-1,3-diamine
CID 113410401
N-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine
CID 81050602
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine
CID 62598575
1-(2-chlorophenyl)-N-[(2,4,5-trifluorophenyl)methyl]methanamine
CID 103792288
N-[(2-bromofuran-3-yl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 106852032

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2,5-difluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine?
The IUPAC name of N-[(4-chloro-2,5-difluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine (CID 113405315) is N-[(4-chloro-2,5-difluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine.
What is the SMILES notation for N-[(4-chloro-2,5-difluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine?
The canonical SMILES for N-[(4-chloro-2,5-difluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine is Fc1cc(CNCCNC2CC2)c(F)cc1Cl.
What is the InChIKey of N-[(4-chloro-2,5-difluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine?
The InChIKey is GYZKIGKACQTTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2N2/c13-10-6-11(14)8(5-12(10)15)7-16-3-4-17-9-1-2-9/h5-6,9,16-17H,1-4,7H2.
What are the key properties of N-[(4-chloro-2,5-difluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine?
N-[(4-chloro-2,5-difluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine has a molecular weight of 260.71 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2,5-difluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 113405315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).