2-methoxy-N-[(4-methyl-3-nitrophenyl)methyl]cyclopentan-1-amine

C14H20N2O3 — CID 62087311

IUPAC2-methoxy-N-[(4-methyl-3-nitrophenyl)methyl]cyclopentan-1-amine
SMILESCOC1CCCC1NCc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O3/c1-10-6-7-11(8-13(10)16(17)18)9-15-12-4-3-5-14(12)19-2/h6-8,12,14-15H,3-5,9H2,1-2H3
InChIKeyLGLPLSYYLSAEMG-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.56
Rot. Bonds5

About 2-methoxy-N-[(4-methyl-3-nitrophenyl)methyl]cyclopentan-1-amine

2-methoxy-N-[(4-methyl-3-nitrophenyl)methyl]cyclopentan-1-amine (PubChem CID 62087311) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methoxy-N-[(4-methyl-3-nitrophenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[(4-methyl-3-nitrophenyl)methyl]cyclopentan-1-amine
PubChem CID62087311
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-methoxy-N-[(4-methyl-3-nitrophenyl)methyl]cyclopentan-1-amine
SMILESCOC1CCCC1NCc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O3/c1-10-6-7-11(8-13(10)16(17)18)9-15-12-4-3-5-14(12)19-2/h6-8,12,14-15H,3-5,9H2,1-2H3
InChIKeyLGLPLSYYLSAEMG-UHFFFAOYSA-N
XLogP2.56
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.56
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-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine
CID 63645558
5-[[(2-methoxycyclopentyl)amino]methyl]-2-methylaniline
CID 62087722
2-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-amine
CID 81154770
N-[(2-chloro-5-nitrophenyl)methyl]-2-methoxycyclopentan-1-amine
CID 62086414
N-[(4-methyl-3-nitrophenyl)methyl]thiolan-3-amine
CID 103701518
N-[(3-chloro-4-fluorophenyl)methyl]-2-methoxycyclopentan-1-amine
CID 81144626
1-(4-methyl-3-nitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720069
1-methyl-N-[(4-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 54949774
N-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline
CID 62589032
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methoxycyclopentan-1-amine
CID 62087852
1-ethyl-N-[(4-methyl-3-nitrophenyl)methyl]piperidin-3-amine
CID 61169013
3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid
CID 103248532

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-methyl-3-nitrophenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-methoxy-N-[(4-methyl-3-nitrophenyl)methyl]cyclopentan-1-amine (CID 62087311) is 2-methoxy-N-[(4-methyl-3-nitrophenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methoxy-N-[(4-methyl-3-nitrophenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-methoxy-N-[(4-methyl-3-nitrophenyl)methyl]cyclopentan-1-amine is COC1CCCC1NCc1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of 2-methoxy-N-[(4-methyl-3-nitrophenyl)methyl]cyclopentan-1-amine?
The InChIKey is LGLPLSYYLSAEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-6-7-11(8-13(10)16(17)18)9-15-12-4-3-5-14(12)19-2/h6-8,12,14-15H,3-5,9H2,1-2H3.
What are the key properties of 2-methoxy-N-[(4-methyl-3-nitrophenyl)methyl]cyclopentan-1-amine?
2-methoxy-N-[(4-methyl-3-nitrophenyl)methyl]cyclopentan-1-amine has a molecular weight of 264.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-methyl-3-nitrophenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 62087311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).