cis-(1R,3S)-3-[(4-nitrophenoxy)methyl]cyclopentan-1-amine

C12H16N2O3 — CID 11962957

IUPACcis-(1R,3S)-3-[(4-nitrophenoxy)methyl]cyclopentan-1-amine
SMILESN[C@@H]1CC[C@H](COc2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C12H16N2O3/c13-10-2-1-9(7-10)8-17-12-5-3-11(4-6-12)14(15)16/h3-6,9-10H,1-2,7-8,13H2/t9-,10+/m0/s1
InChIKeyONJWUBLMSLCDLM-VHSXEESVSA-N
MW236.27 g/mol
LogP2.10
Rot. Bonds4

About cis-(1R,3S)-3-[(4-nitrophenoxy)methyl]cyclopentan-1-amine

cis-(1R,3S)-3-[(4-nitrophenoxy)methyl]cyclopentan-1-amine (PubChem CID 11962957) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(4-nitrophenoxy)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(4-nitrophenoxy)methyl]cyclopentan-1-amine
PubChem CID11962957
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namecis-(1R,3S)-3-[(4-nitrophenoxy)methyl]cyclopentan-1-amine
SMILESN[C@@H]1CC[C@H](COc2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C12H16N2O3/c13-10-2-1-9(7-10)8-17-12-5-3-11(4-6-12)14(15)16/h3-6,9-10H,1-2,7-8,13H2/t9-,10+/m0/s1
InChIKeyONJWUBLMSLCDLM-VHSXEESVSA-N
XLogP2.10
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.10
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

3-(phenoxymethyl)cyclopentan-1-amine
CID 83618605
1-(2-cyclopropylethoxy)-4-nitrobenzene
CID 67453725
1-[(3,3-dimethoxycyclobutyl)methoxy]-4-nitrobenzene
CID 177362906
4-nitro-N-[4-(oxan-4-ylmethoxy)phenyl]aniline
CID 133433897
1-[(2,2-difluorocyclopropyl)methoxy]-4-nitrobenzene
CID 67453576
(4S)-4-[(4-nitrophenoxy)methyl]-1,3-oxazolidin-2-one
CID 171480946
1-(iodomethoxy)-4-nitrobenzene
CID 70647757
1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene
CID 80752883
(4-nitrophenyl) bis(7-oxabicyclo[4.1.0]heptan-3-ylmethyl) phosphate
CID 141187337
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
2-amino-2-cyclopropyl-3-(4-nitrophenoxy)propanenitrile
CID 63907786
4-(cyclopropylmethoxy)-2-nitrophenol
CID 170626751

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(4-nitrophenoxy)methyl]cyclopentan-1-amine?
The IUPAC name of cis-(1R,3S)-3-[(4-nitrophenoxy)methyl]cyclopentan-1-amine (CID 11962957) is cis-(1R,3S)-3-[(4-nitrophenoxy)methyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-[(4-nitrophenoxy)methyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-[(4-nitrophenoxy)methyl]cyclopentan-1-amine is N[C@@H]1CC[C@H](COc2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of cis-(1R,3S)-3-[(4-nitrophenoxy)methyl]cyclopentan-1-amine?
The InChIKey is ONJWUBLMSLCDLM-VHSXEESVSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-10-2-1-9(7-10)8-17-12-5-3-11(4-6-12)14(15)16/h3-6,9-10H,1-2,7-8,13H2/t9-,10+/m0/s1.
What are the key properties of cis-(1R,3S)-3-[(4-nitrophenoxy)methyl]cyclopentan-1-amine?
cis-(1R,3S)-3-[(4-nitrophenoxy)methyl]cyclopentan-1-amine has a molecular weight of 236.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(4-nitrophenoxy)methyl]cyclopentan-1-amine is sourced from PubChem (CID 11962957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).