N-[(2-chloro-5-nitrophenyl)methyl]-2-methoxycyclopentan-1-amine

C13H17ClN2O3 — CID 62086414

IUPACN-[(2-chloro-5-nitrophenyl)methyl]-2-methoxycyclopentan-1-amine
SMILESCOC1CCCC1NCc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-19-13-4-2-3-12(13)15-8-9-7-10(16(17)18)5-6-11(9)14/h5-7,12-13,15H,2-4,8H2,1H3
InChIKeyRTIPWWWPMQCDLS-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.91
Rot. Bonds5

About N-[(2-chloro-5-nitrophenyl)methyl]-2-methoxycyclopentan-1-amine

N-[(2-chloro-5-nitrophenyl)methyl]-2-methoxycyclopentan-1-amine (PubChem CID 62086414) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is N-[(2-chloro-5-nitrophenyl)methyl]-2-methoxycyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-nitrophenyl)methyl]-2-methoxycyclopentan-1-amine
PubChem CID62086414
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC NameN-[(2-chloro-5-nitrophenyl)methyl]-2-methoxycyclopentan-1-amine
SMILESCOC1CCCC1NCc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-19-13-4-2-3-12(13)15-8-9-7-10(16(17)18)5-6-11(9)14/h5-7,12-13,15H,2-4,8H2,1H3
InChIKeyRTIPWWWPMQCDLS-UHFFFAOYSA-N
XLogP2.91
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-5-nitrophenyl)methyl]cyclobutanamine
CID 62415324
2-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide
CID 62087506
N-[(2-chloro-5-nitrophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994852
2-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-amine
CID 81154770
2-methoxy-N-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-amine
CID 62086600
N-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline
CID 62589032
N-(2-methoxycyclopentyl)-4-nitroaniline
CID 62086642
N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylcyclohexan-1-amine
CID 2988984
2-[(2-methoxycyclopentyl)amino]-1-(4-nitrophenyl)ethanol
CID 115344969
2-methoxy-N-[(4-methyl-3-nitrophenyl)methyl]cyclopentan-1-amine
CID 62087311
N-[(2-chloro-5-nitrophenyl)methyl]-3-ethoxycyclobutan-1-amine
CID 103917801
(1R)-N-[(2-chloro-5-nitrophenyl)methyl]-1-cyclohexylethanamine
CID 81384193

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-nitrophenyl)methyl]-2-methoxycyclopentan-1-amine?
The IUPAC name of N-[(2-chloro-5-nitrophenyl)methyl]-2-methoxycyclopentan-1-amine (CID 62086414) is N-[(2-chloro-5-nitrophenyl)methyl]-2-methoxycyclopentan-1-amine.
What is the SMILES notation for N-[(2-chloro-5-nitrophenyl)methyl]-2-methoxycyclopentan-1-amine?
The canonical SMILES for N-[(2-chloro-5-nitrophenyl)methyl]-2-methoxycyclopentan-1-amine is COC1CCCC1NCc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-[(2-chloro-5-nitrophenyl)methyl]-2-methoxycyclopentan-1-amine?
The InChIKey is RTIPWWWPMQCDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-19-13-4-2-3-12(13)15-8-9-7-10(16(17)18)5-6-11(9)14/h5-7,12-13,15H,2-4,8H2,1H3.
What are the key properties of N-[(2-chloro-5-nitrophenyl)methyl]-2-methoxycyclopentan-1-amine?
N-[(2-chloro-5-nitrophenyl)methyl]-2-methoxycyclopentan-1-amine has a molecular weight of 284.74 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-nitrophenyl)methyl]-2-methoxycyclopentan-1-amine is sourced from PubChem (CID 62086414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).