N-[(2-chloro-6-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine

C14H19ClN2O2 — CID 64908935

IUPACN-[(2-chloro-6-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCC1CCC(NCc2c(Cl)cccc2[N+](=O)[O-])C1C
InChIInChI=1S/C14H19ClN2O2/c1-9-6-7-13(10(9)2)16-8-11-12(15)4-3-5-14(11)17(18)19/h3-5,9-10,13,16H,6-8H2,1-2H3
InChIKeyVUFVMSHCTPOBAZ-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.77
Rot. Bonds4

About N-[(2-chloro-6-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine

N-[(2-chloro-6-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine (PubChem CID 64908935) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[(2-chloro-6-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
PubChem CID64908935
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[(2-chloro-6-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCC1CCC(NCc2c(Cl)cccc2[N+](=O)[O-])C1C
InChIInChI=1S/C14H19ClN2O2/c1-9-6-7-13(10(9)2)16-8-11-12(15)4-3-5-14(11)17(18)19/h3-5,9-10,13,16H,6-8H2,1-2H3
InChIKeyVUFVMSHCTPOBAZ-UHFFFAOYSA-N
XLogP3.77
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.77
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

N-[(2-chloro-6-nitrophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 63745980
N-[(4-chloro-2-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64907420
N-[(2-chloro-6-nitrophenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358443
N-[(2-chloro-6-nitrophenyl)methyl]ethanamine
CID 63745777
N-[(2-chloro-6-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 63746470
N-[(2-chloro-6-nitrophenyl)methyl]-1-cyclobutylmethanamine
CID 63746985
N-[(2-chloro-6-nitrophenyl)methyl]-1-propylpiperidin-4-amine
CID 63745282
(2-chloro-6-nitrophenyl)methylhydrazine
CID 63746619
N-[(2-chloro-6-nitrophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 63747503
N-[(2-chloro-6-nitrophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79357939
N-[(2-chloro-6-nitrophenyl)methyl]-2-cyclohexylethanamine
CID 63745632
(1S)-N-[(2-chloro-6-nitrophenyl)methyl]-1-cyclopentylethanamine
CID 81394826

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(2-chloro-6-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine (CID 64908935) is N-[(2-chloro-6-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(2-chloro-6-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(2-chloro-6-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine is CC1CCC(NCc2c(Cl)cccc2[N+](=O)[O-])C1C.
What is the InChIKey of N-[(2-chloro-6-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The InChIKey is VUFVMSHCTPOBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9-6-7-13(10(9)2)16-8-11-12(15)4-3-5-14(11)17(18)19/h3-5,9-10,13,16H,6-8H2,1-2H3.
What are the key properties of N-[(2-chloro-6-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
N-[(2-chloro-6-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine has a molecular weight of 282.77 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64908935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).