N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine

C14H17ClN2O3 — CID 103580888

IUPACN-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine
SMILESO=[N+]([O-])c1ccc(Cl)cc1CNC1CCOC1C1CC1
InChIInChI=1S/C14H17ClN2O3/c15-11-3-4-13(17(18)19)10(7-11)8-16-12-5-6-20-14(12)9-1-2-9/h3-4,7,9,12,14,16H,1-2,5-6,8H2
InChIKeyYHIOQCJCDGNNAQ-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.91
Rot. Bonds5

About N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine

N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine (PubChem CID 103580888) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine
PubChem CID103580888
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC NameN-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine
SMILESO=[N+]([O-])c1ccc(Cl)cc1CNC1CCOC1C1CC1
InChIInChI=1S/C14H17ClN2O3/c15-11-3-4-13(17(18)19)10(7-11)8-16-12-5-6-20-14(12)9-1-2-9/h3-4,7,9,12,14,16H,1-2,5-6,8H2
InChIKeyYHIOQCJCDGNNAQ-UHFFFAOYSA-N
XLogP2.91
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.91
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

N-[(4-chloro-3-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864509
N-[(5-chloro-2-nitrophenyl)methyl]oxan-3-amine
CID 78998853
2-cyclopropyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine
CID 103864594
N-[(5-chloro-2-nitrophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 78998746
N-[(5-chloro-2-nitrophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 78998674
2-[(5-chloro-2-nitrophenyl)methylamino]-2-cyclopropylacetic acid
CID 79580843
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-chloro-2-nitrophenyl)methyl]methanamine
CID 78998768
2-cyclopropyl-N-[(2-fluorophenyl)methyl]oxolan-3-amine
CID 103864475
N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopentylethanamine
CID 78998881
N-[(5-chloro-2-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79871366
2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine
CID 103864589
N-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide
CID 103864653

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine?
The IUPAC name of N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine (CID 103580888) is N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine.
What is the SMILES notation for N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine?
The canonical SMILES for N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine is O=[N+]([O-])c1ccc(Cl)cc1CNC1CCOC1C1CC1.
What is the InChIKey of N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine?
The InChIKey is YHIOQCJCDGNNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-11-3-4-13(17(18)19)10(7-11)8-16-12-5-6-20-14(12)9-1-2-9/h3-4,7,9,12,14,16H,1-2,5-6,8H2.
What are the key properties of N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine?
N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine has a molecular weight of 296.75 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine is sourced from PubChem (CID 103580888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).