1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopentan-1-ol

C13H17ClN2O3 — CID 65111747

IUPAC1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopentan-1-ol
SMILESO=[N+]([O-])c1cccc(Cl)c1CNCC1(O)CCCC1
InChIInChI=1S/C13H17ClN2O3/c14-11-4-3-5-12(16(18)19)10(11)8-15-9-13(17)6-1-2-7-13/h3-5,15,17H,1-2,6-9H2
InChIKeyKYNFBURMSKUTGT-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.64
Rot. Bonds5

About 1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopentan-1-ol

1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 65111747) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopentan-1-ol
PubChem CID65111747
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopentan-1-ol
SMILESO=[N+]([O-])c1cccc(Cl)c1CNCC1(O)CCCC1
InChIInChI=1S/C13H17ClN2O3/c14-11-4-3-5-12(16(18)19)10(11)8-15-9-13(17)6-1-2-7-13/h3-5,15,17H,1-2,6-9H2
InChIKeyKYNFBURMSKUTGT-UHFFFAOYSA-N
XLogP2.64
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.64
H-Bond Donors ≤ 52
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-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopropyl]methanol
CID 113313226
3-chloro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 78960288
1-(2-chloro-6-nitrophenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80722454
3-chloro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenol
CID 78960594
N-[(2-chloro-6-nitrophenyl)methyl]ethanamine
CID 63745777
N-[(2-chloro-6-nitrophenyl)methyl]-1-cyclobutylmethanamine
CID 63746985
1-(2-chloro-6-nitrophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
CID 107163551
2-[(2-chloro-6-nitrophenyl)methylamino]-N-propan-2-ylacetamide
CID 63745631
(2-chloro-6-nitrophenyl)methylhydrazine
CID 63746619
N-[(2-chloro-6-nitrophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 63747503
N-[(2-chloro-6-nitrophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79357939
N-[(2-chloro-6-nitrophenyl)methyl]-2-cyclohexylethanamine
CID 63745632

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopentan-1-ol (CID 65111747) is 1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopentan-1-ol is O=[N+]([O-])c1cccc(Cl)c1CNCC1(O)CCCC1.
What is the InChIKey of 1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is KYNFBURMSKUTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c14-11-4-3-5-12(16(18)19)10(11)8-15-9-13(17)6-1-2-7-13/h3-5,15,17H,1-2,6-9H2.
What are the key properties of 1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopentan-1-ol?
1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 284.74 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65111747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).