N-[(4-chloro-2-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine

C14H19ClN2O2 — CID 64907420

IUPACN-[(4-chloro-2-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCC1CCC(NCc2ccc(Cl)cc2[N+](=O)[O-])C1C
InChIInChI=1S/C14H19ClN2O2/c1-9-3-6-13(10(9)2)16-8-11-4-5-12(15)7-14(11)17(18)19/h4-5,7,9-10,13,16H,3,6,8H2,1-2H3
InChIKeyLLFISOIQZIJSKN-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.77
Rot. Bonds4

About N-[(4-chloro-2-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine

N-[(4-chloro-2-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine (PubChem CID 64907420) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[(4-chloro-2-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
PubChem CID64907420
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[(4-chloro-2-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCC1CCC(NCc2ccc(Cl)cc2[N+](=O)[O-])C1C
InChIInChI=1S/C14H19ClN2O2/c1-9-3-6-13(10(9)2)16-8-11-4-5-12(15)7-14(11)17(18)19/h4-5,7,9-10,13,16H,3,6,8H2,1-2H3
InChIKeyLLFISOIQZIJSKN-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-[(4-chloro-2-nitrophenyl)methyl]-2-methylcyclohexan-1-amine
CID 62102230
N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 114842394
N-[(2,5-dichlorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 65317315
N-[(2-chloro-6-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908935
N-[(4-chloro-2-nitrophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 62100451
N-[(4-methoxy-3-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908275
N-(4-chloro-2-nitrophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 112770341
N-[(4-chloro-2-nitrophenyl)methyl]-4-methylpiperazin-1-amine
CID 83020819
(1R)-N-[(4-chloro-2-nitrophenyl)methyl]-1-cyclohexylethanamine
CID 81384533
1-[(4-chloro-2-nitrophenyl)methyl]-3-methylpiperidin-4-ol
CID 114502462
3-[(4-chloro-2-nitrophenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629409
N-[(2,4-difluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908869

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(4-chloro-2-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine (CID 64907420) is N-[(4-chloro-2-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(4-chloro-2-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(4-chloro-2-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine is CC1CCC(NCc2ccc(Cl)cc2[N+](=O)[O-])C1C.
What is the InChIKey of N-[(4-chloro-2-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The InChIKey is LLFISOIQZIJSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9-3-6-13(10(9)2)16-8-11-4-5-12(15)7-14(11)17(18)19/h4-5,7,9-10,13,16H,3,6,8H2,1-2H3.
What are the key properties of N-[(4-chloro-2-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
N-[(4-chloro-2-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-[(4-chloro-2-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64907420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).