1-[(3-nitrophenyl)methoxymethyl]cyclopentan-1-amine

C13H18N2O3 — CID 64571808

IUPAC1-[(3-nitrophenyl)methoxymethyl]cyclopentan-1-amine
SMILESNC1(COCc2cccc([N+](=O)[O-])c2)CCCC1
InChIInChI=1S/C13H18N2O3/c14-13(6-1-2-7-13)10-18-9-11-4-3-5-12(8-11)15(16)17/h3-5,8H,1-2,6-7,9-10,14H2
InChIKeyHWODHHDMVCRBRS-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.38
Rot. Bonds5

About 1-[(3-nitrophenyl)methoxymethyl]cyclopentan-1-amine

1-[(3-nitrophenyl)methoxymethyl]cyclopentan-1-amine (PubChem CID 64571808) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[(3-nitrophenyl)methoxymethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(3-nitrophenyl)methoxymethyl]cyclopentan-1-amine
PubChem CID64571808
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-[(3-nitrophenyl)methoxymethyl]cyclopentan-1-amine
SMILESNC1(COCc2cccc([N+](=O)[O-])c2)CCCC1
InChIInChI=1S/C13H18N2O3/c14-13(6-1-2-7-13)10-18-9-11-4-3-5-12(8-11)15(16)17/h3-5,8H,1-2,6-7,9-10,14H2
InChIKeyHWODHHDMVCRBRS-UHFFFAOYSA-N
XLogP2.38
TPSA78.39 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 ≤ 52.38
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

1-[(5-chloro-2-nitrophenyl)methoxymethyl]cyclopentan-1-amine
CID 79579724
3-[(3-nitrophenyl)methyl]oxan-3-amine
CID 65019941
N-methyl-1-[(3-nitrophenyl)methoxy]methanamine
CID 175338015
1-[(3,4-dimethoxyphenyl)methoxymethyl]cyclopentan-1-amine
CID 64572667
4-methyl-1-[(3-nitrophenyl)methyl]cyclohexan-1-amine
CID 65419636
1-(cyclohexyloxymethyl)-3-nitrobenzene
CID 11264832
[1-[(3-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62524809
1-[(4-bromo-2-nitrophenyl)methoxymethyl]cycloheptan-1-amine
CID 114381927
1-nitro-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290
3-[(3-nitrophenyl)methoxy]propane-1,2-diol
CID 56629531
1-[(2-methyl-4-nitrophenoxy)methyl]cycloheptan-1-amine
CID 64548981
1-[(2-iodo-4-nitrophenoxy)methyl]cyclohexan-1-amine
CID 66094336

Frequently Asked Questions

What is the IUPAC name of 1-[(3-nitrophenyl)methoxymethyl]cyclopentan-1-amine?
The IUPAC name of 1-[(3-nitrophenyl)methoxymethyl]cyclopentan-1-amine (CID 64571808) is 1-[(3-nitrophenyl)methoxymethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(3-nitrophenyl)methoxymethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(3-nitrophenyl)methoxymethyl]cyclopentan-1-amine is NC1(COCc2cccc([N+](=O)[O-])c2)CCCC1.
What is the InChIKey of 1-[(3-nitrophenyl)methoxymethyl]cyclopentan-1-amine?
The InChIKey is HWODHHDMVCRBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-13(6-1-2-7-13)10-18-9-11-4-3-5-12(8-11)15(16)17/h3-5,8H,1-2,6-7,9-10,14H2.
What are the key properties of 1-[(3-nitrophenyl)methoxymethyl]cyclopentan-1-amine?
1-[(3-nitrophenyl)methoxymethyl]cyclopentan-1-amine has a molecular weight of 250.30 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-nitrophenyl)methoxymethyl]cyclopentan-1-amine is sourced from PubChem (CID 64571808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).