1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine

C14H20N2O3 — CID 43371036

IUPAC1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine
SMILESCOc1ccc([N+](=O)[O-])cc1CNCC1CCCC1
InChIInChI=1S/C14H20N2O3/c1-19-14-7-6-13(16(17)18)8-12(14)10-15-9-11-4-2-3-5-11/h6-8,11,15H,2-5,9-10H2,1H3
InChIKeyDNIDZSMMWBGJJX-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.88
Rot. Bonds6

About 1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine

1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine (PubChem CID 43371036) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine
PubChem CID43371036
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine
SMILESCOc1ccc([N+](=O)[O-])cc1CNCC1CCCC1
InChIInChI=1S/C14H20N2O3/c1-19-14-7-6-13(16(17)18)8-12(14)10-15-9-11-4-2-3-5-11/h6-8,11,15H,2-5,9-10H2,1H3
InChIKeyDNIDZSMMWBGJJX-UHFFFAOYSA-N
XLogP2.88
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.88
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]cyclopentanamine
CID 43082634
N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylcyclohexan-1-amine
CID 2988984
N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine
CID 43472722
(1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 81388796
3-[(2-methoxy-5-nitrophenyl)methylamino]propan-1-ol
CID 43393003
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine
CID 119153420
N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867
2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 43082616
1-cyclobutyl-N-[(2,4-dinitrophenyl)methyl]methanamine
CID 66223273
2-[(cyclopropylmethylamino)methyl]-4-nitrophenol
CID 115602981
4-[[(2-methoxy-5-nitrophenyl)methylamino]methyl]phenol
CID 114331736
2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 43082654

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine?
The IUPAC name of 1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine (CID 43371036) is 1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine?
The canonical SMILES for 1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine is COc1ccc([N+](=O)[O-])cc1CNCC1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine?
The InChIKey is DNIDZSMMWBGJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-14-7-6-13(16(17)18)8-12(14)10-15-9-11-4-2-3-5-11/h6-8,11,15H,2-5,9-10H2,1H3.
What are the key properties of 1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine?
1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine has a molecular weight of 264.32 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine is sourced from PubChem (CID 43371036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).