N-[(2,4-difluoro-5-nitrophenyl)methyl]-1-(2-methylcyclopentyl)methanamine

C14H18F2N2O2 — CID 107417282

IUPACN-[(2,4-difluoro-5-nitrophenyl)methyl]-1-(2-methylcyclopentyl)methanamine
SMILESCC1CCCC1CNCc1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C14H18F2N2O2/c1-9-3-2-4-10(9)7-17-8-11-5-14(18(19)20)13(16)6-12(11)15/h5-6,9-10,17H,2-4,7-8H2,1H3
InChIKeyVZZCNSNOWCNVTK-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.40
Rot. Bonds5

About N-[(2,4-difluoro-5-nitrophenyl)methyl]-1-(2-methylcyclopentyl)methanamine

N-[(2,4-difluoro-5-nitrophenyl)methyl]-1-(2-methylcyclopentyl)methanamine (PubChem CID 107417282) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[(2,4-difluoro-5-nitrophenyl)methyl]-1-(2-methylcyclopentyl)methanamine.

Molecular Properties

Compound NameN-[(2,4-difluoro-5-nitrophenyl)methyl]-1-(2-methylcyclopentyl)methanamine
PubChem CID107417282
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC NameN-[(2,4-difluoro-5-nitrophenyl)methyl]-1-(2-methylcyclopentyl)methanamine
SMILESCC1CCCC1CNCc1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C14H18F2N2O2/c1-9-3-2-4-10(9)7-17-8-11-5-14(18(19)20)13(16)6-12(11)15/h5-6,9-10,17H,2-4,7-8H2,1H3
InChIKeyVZZCNSNOWCNVTK-UHFFFAOYSA-N
XLogP3.40
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[(2,4-difluoro-5-nitrophenyl)methylamino]methyl]cyclohexan-1-ol
CID 106123996
3-fluoro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzenesulfonamide
CID 107417852
N-[(2-bromo-4-nitrophenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63492255
4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzoic acid
CID 107453491
N-[(2,4-difluoro-5-nitrophenyl)methyl]-2-methylprop-2-en-1-amine
CID 114615391
N-[(2,4-difluoro-5-nitrophenyl)methyl]-3-methylcyclopentan-1-amine
CID 114543897
4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile
CID 107418224
2-fluoro-4-[(2-methylcyclopentyl)methylamino]-5-nitrobenzoic acid
CID 107419006
N-[(2,4-difluoro-5-nitrophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61040207
2,6-difluoro-4-[[(2-methylcyclohexyl)methylamino]methyl]phenol
CID 79831663
2-[(2,4-difluoro-5-nitrophenyl)methylamino]cyclohexan-1-ol
CID 62360508
4,5-dichloro-N-[(2-methylcyclopentyl)methyl]-2-nitroaniline
CID 107419088

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluoro-5-nitrophenyl)methyl]-1-(2-methylcyclopentyl)methanamine?
The IUPAC name of N-[(2,4-difluoro-5-nitrophenyl)methyl]-1-(2-methylcyclopentyl)methanamine (CID 107417282) is N-[(2,4-difluoro-5-nitrophenyl)methyl]-1-(2-methylcyclopentyl)methanamine.
What is the SMILES notation for N-[(2,4-difluoro-5-nitrophenyl)methyl]-1-(2-methylcyclopentyl)methanamine?
The canonical SMILES for N-[(2,4-difluoro-5-nitrophenyl)methyl]-1-(2-methylcyclopentyl)methanamine is CC1CCCC1CNCc1cc([N+](=O)[O-])c(F)cc1F.
What is the InChIKey of N-[(2,4-difluoro-5-nitrophenyl)methyl]-1-(2-methylcyclopentyl)methanamine?
The InChIKey is VZZCNSNOWCNVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-9-3-2-4-10(9)7-17-8-11-5-14(18(19)20)13(16)6-12(11)15/h5-6,9-10,17H,2-4,7-8H2,1H3.
What are the key properties of N-[(2,4-difluoro-5-nitrophenyl)methyl]-1-(2-methylcyclopentyl)methanamine?
N-[(2,4-difluoro-5-nitrophenyl)methyl]-1-(2-methylcyclopentyl)methanamine has a molecular weight of 284.31 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluoro-5-nitrophenyl)methyl]-1-(2-methylcyclopentyl)methanamine is sourced from PubChem (CID 107417282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).