N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine

C13H18N2O3 — CID 43082634

IUPACN-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine
SMILESCOc1ccc([N+](=O)[O-])cc1CNC1CCCC1
InChIInChI=1S/C13H18N2O3/c1-18-13-7-6-12(15(16)17)8-10(13)9-14-11-4-2-3-5-11/h6-8,11,14H,2-5,9H2,1H3
InChIKeyBIAQQJHXQSSLCL-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.64
Rot. Bonds5

About N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine

N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine (PubChem CID 43082634) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine
PubChem CID43082634
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine
SMILESCOc1ccc([N+](=O)[O-])cc1CNC1CCCC1
InChIInChI=1S/C13H18N2O3/c1-18-13-7-6-12(15(16)17)8-10(13)9-14-11-4-2-3-5-11/h6-8,11,14H,2-5,9H2,1H3
InChIKeyBIAQQJHXQSSLCL-UHFFFAOYSA-N
XLogP2.64
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.64
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-methoxy-5-nitrophenyl)methyl]-1,1-dioxothian-4-amine
CID 43615162
N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylcyclohexan-1-amine
CID 2988984
1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine
CID 43371036
(1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 81388796
N-[(2-butoxy-5-nitrophenyl)methyl]cyclopropanamine
CID 43472781
N-[[2-(cyclobutylmethoxy)-5-nitrophenyl]methyl]cyclopropanamine
CID 65458475
N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
3-[(cyclohexylamino)methyl]-4-methoxybenzaldehyde;nitric acid
CID 52997170
N-[[2-(3-methylbut-2-enoxy)-5-nitrophenyl]methyl]cyclopropanamine
CID 60887674
N-[(2-chloro-5-nitrophenyl)methyl]cyclobutanamine
CID 62415324
N-[(2,4-dinitrophenyl)methyl]cyclohexanamine
CID 66223052

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine (CID 43082634) is N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine is COc1ccc([N+](=O)[O-])cc1CNC1CCCC1.
What is the InChIKey of N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine?
The InChIKey is BIAQQJHXQSSLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-18-13-7-6-12(15(16)17)8-10(13)9-14-11-4-2-3-5-11/h6-8,11,14H,2-5,9H2,1H3.
What are the key properties of N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine?
N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine has a molecular weight of 250.30 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine is sourced from PubChem (CID 43082634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).