trans-(1R,2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]cyclopentan-1-amine

C13H18N2O4 — CID 177331705

IUPACtrans-(1R,2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]cyclopentan-1-amine
SMILESCOc1ccc(CO[C@@H]2CCC[C@H]2N)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-18-13-6-5-9(7-11(13)15(16)17)8-19-12-4-2-3-10(12)14/h5-7,10,12H,2-4,8,14H2,1H3/t10-,12-/m1/s1
InChIKeyATNSAIQZALWOLN-ZYHUDNBSSA-N
MW266.30 g/mol
LogP2.00
Rot. Bonds5

About trans-(1R,2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]cyclopentan-1-amine

trans-(1R,2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]cyclopentan-1-amine (PubChem CID 177331705) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]cyclopentan-1-amine
PubChem CID177331705
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nametrans-(1R,2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]cyclopentan-1-amine
SMILESCOc1ccc(CO[C@@H]2CCC[C@H]2N)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-18-13-6-5-9(7-11(13)15(16)17)8-19-12-4-2-3-10(12)14/h5-7,10,12H,2-4,8,14H2,1H3/t10-,12-/m1/s1
InChIKeyATNSAIQZALWOLN-ZYHUDNBSSA-N
XLogP2.00
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene
CID 11735902
2-[[(4-methoxy-3-nitrophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 109397985
2-[(4-methoxy-3-nitrophenyl)methoxy]-N-methylethanamine
CID 62336435
2-[(4-bromo-2-nitrophenyl)methoxy]cyclohexan-1-amine
CID 114381940
2-(4-methoxy-3-nitrophenoxy)cyclopentan-1-ol
CID 103202112
2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine
CID 62110928
4-[(3,5-dimethylphenoxy)methyl]-1-methoxy-2-nitrobenzene
CID 60772192
4-N-(cyclohexylmethyl)-4-N-[(4-methoxy-3-nitrophenyl)methyl]cyclohexane-1,4-diamine
CID 23734149
N-methyl-4-[(2-methylcyclohexyl)oxymethyl]-2-nitroaniline
CID 62193038
4-(2-chloroethyl)-1-methoxy-2-nitrobenzene
CID 19438355
methyl 3-(4-methoxy-3-nitrophenyl)-2-oxopropanoate
CID 96827543
(1S)-2-[(4-bromophenyl)methoxy]cyclopentan-1-amine
CID 126675394

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]cyclopentan-1-amine?
The IUPAC name of trans-(1R,2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]cyclopentan-1-amine (CID 177331705) is trans-(1R,2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]cyclopentan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]cyclopentan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]cyclopentan-1-amine is COc1ccc(CO[C@@H]2CCC[C@H]2N)cc1[N+](=O)[O-].
What is the InChIKey of trans-(1R,2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]cyclopentan-1-amine?
The InChIKey is ATNSAIQZALWOLN-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-18-13-6-5-9(7-11(13)15(16)17)8-19-12-4-2-3-10(12)14/h5-7,10,12H,2-4,8,14H2,1H3/t10-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]cyclopentan-1-amine?
trans-(1R,2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]cyclopentan-1-amine has a molecular weight of 266.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]cyclopentan-1-amine is sourced from PubChem (CID 177331705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).