N-[(4-chloro-3-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine

C14H17ClN2O3 — CID 103864509

IUPACN-[(4-chloro-3-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine
SMILESO=[N+]([O-])c1cc(CNC2CCOC2C2CC2)ccc1Cl
InChIInChI=1S/C14H17ClN2O3/c15-11-4-1-9(7-13(11)17(18)19)8-16-12-5-6-20-14(12)10-2-3-10/h1,4,7,10,12,14,16H,2-3,5-6,8H2
InChIKeyBMCNOLWYTTWEAO-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.91
Rot. Bonds5

About N-[(4-chloro-3-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine

N-[(4-chloro-3-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine (PubChem CID 103864509) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is N-[(4-chloro-3-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine.

Molecular Properties

Compound NameN-[(4-chloro-3-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine
PubChem CID103864509
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC NameN-[(4-chloro-3-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine
SMILESO=[N+]([O-])c1cc(CNC2CCOC2C2CC2)ccc1Cl
InChIInChI=1S/C14H17ClN2O3/c15-11-4-1-9(7-13(11)17(18)19)8-16-12-5-6-20-14(12)10-2-3-10/h1,4,7,10,12,14,16H,2-3,5-6,8H2
InChIKeyBMCNOLWYTTWEAO-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-methyloxolan-3-amine
CID 82725055
N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103580888
2-cyclopropyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine
CID 103864594
2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol
CID 103864542
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864559
2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine
CID 103864589
N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103880746
N-[(4-chloro-3-nitrophenyl)methyl]cyclopropanecarboxamide
CID 90019905
N-[(4-chloro-3-nitrophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701466
N-[(4-chloro-3-nitrophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine
CID 78942716
N-[(4-chloro-3-nitrophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702417
2-chloro-N-(2-cyclopropyloxolan-3-yl)-5-nitrobenzamide
CID 103864661

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine?
The IUPAC name of N-[(4-chloro-3-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine (CID 103864509) is N-[(4-chloro-3-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine.
What is the SMILES notation for N-[(4-chloro-3-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine?
The canonical SMILES for N-[(4-chloro-3-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine is O=[N+]([O-])c1cc(CNC2CCOC2C2CC2)ccc1Cl.
What is the InChIKey of N-[(4-chloro-3-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine?
The InChIKey is BMCNOLWYTTWEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-11-4-1-9(7-13(11)17(18)19)8-16-12-5-6-20-14(12)10-2-3-10/h1,4,7,10,12,14,16H,2-3,5-6,8H2.
What are the key properties of N-[(4-chloro-3-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine?
N-[(4-chloro-3-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-[(4-chloro-3-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine is sourced from PubChem (CID 103864509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).