2-[[(4-methoxy-3-nitrophenyl)methyl-methylamino]methyl]cyclopentan-1-ol

C15H22N2O4 — CID 109397985

IUPAC2-[[(4-methoxy-3-nitrophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCOc1ccc(CN(C)CC2CCCC2O)cc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O4/c1-16(10-12-4-3-5-14(12)18)9-11-6-7-15(21-2)13(8-11)17(19)20/h6-8,12,14,18H,3-5,9-10H2,1-2H3
InChIKeyUHVCLXQWJZVKEU-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.20
Rot. Bonds6

About 2-[[(4-methoxy-3-nitrophenyl)methyl-methylamino]methyl]cyclopentan-1-ol

2-[[(4-methoxy-3-nitrophenyl)methyl-methylamino]methyl]cyclopentan-1-ol (PubChem CID 109397985) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[[(4-methoxy-3-nitrophenyl)methyl-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(4-methoxy-3-nitrophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
PubChem CID109397985
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[[(4-methoxy-3-nitrophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCOc1ccc(CN(C)CC2CCCC2O)cc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O4/c1-16(10-12-4-3-5-14(12)18)9-11-6-7-15(21-2)13(8-11)17(19)20/h6-8,12,14,18H,3-5,9-10H2,1-2H3
InChIKeyUHVCLXQWJZVKEU-UHFFFAOYSA-N
XLogP2.20
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.20
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

2-[[(3-ethoxy-4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-ol
CID 110011425
methyl 3-[(4-methoxy-3-nitrophenyl)methyl-methylamino]propanoate
CID 62011082
N'-[(4-methoxy-3-nitrophenyl)methyl]-N'-methylethane-1,2-diamine
CID 55103758
N-[(4-methoxy-3-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119912831
2-chloro-N-(2-chloroethyl)-N-[(4-methoxy-3-nitrophenyl)methyl]ethanamine;hydrochloride
CID 12642797
N'-[(4-methoxy-3-nitrophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928805
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide
CID 109397833
4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene
CID 11735902
trans-(1S,2S)-2-[[(3-chloro-4,5-dimethoxyphenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 97146325
trans-(1R,2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]cyclopentan-1-amine
CID 177331705
4-N-(cyclohexylmethyl)-4-N-[(4-methoxy-3-nitrophenyl)methyl]cyclohexane-1,4-diamine
CID 23734149
2-[2-hydroxyethyl-[(4-methoxy-3-nitrophenyl)methyl]amino]ethanol chloride
CID 53347640

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methoxy-3-nitrophenyl)methyl-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[(4-methoxy-3-nitrophenyl)methyl-methylamino]methyl]cyclopentan-1-ol (CID 109397985) is 2-[[(4-methoxy-3-nitrophenyl)methyl-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[(4-methoxy-3-nitrophenyl)methyl-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[(4-methoxy-3-nitrophenyl)methyl-methylamino]methyl]cyclopentan-1-ol is COc1ccc(CN(C)CC2CCCC2O)cc1[N+](=O)[O-].
What is the InChIKey of 2-[[(4-methoxy-3-nitrophenyl)methyl-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is UHVCLXQWJZVKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-16(10-12-4-3-5-14(12)18)9-11-6-7-15(21-2)13(8-11)17(19)20/h6-8,12,14,18H,3-5,9-10H2,1-2H3.
What are the key properties of 2-[[(4-methoxy-3-nitrophenyl)methyl-methylamino]methyl]cyclopentan-1-ol?
2-[[(4-methoxy-3-nitrophenyl)methyl-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 294.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methoxy-3-nitrophenyl)methyl-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 109397985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).