2-chloro-4-methoxy-5-(oxiran-2-ylmethoxy)aniline

C10H12ClNO3 — CID 89105920

IUPAC2-chloro-4-methoxy-5-(oxiran-2-ylmethoxy)aniline
SMILESCOc1cc(Cl)c(N)cc1OCC1CO1
InChIInChI=1S/C10H12ClNO3/c1-13-9-2-7(11)8(12)3-10(9)15-5-6-4-14-6/h2-3,6H,4-5,12H2,1H3
InChIKeyZNSGCLCNITXRFX-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.71
Rot. Bonds4

About 2-chloro-4-methoxy-5-(oxiran-2-ylmethoxy)aniline

2-chloro-4-methoxy-5-(oxiran-2-ylmethoxy)aniline (PubChem CID 89105920) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 2-chloro-4-methoxy-5-(oxiran-2-ylmethoxy)aniline.

Molecular Properties

Compound Name2-chloro-4-methoxy-5-(oxiran-2-ylmethoxy)aniline
PubChem CID89105920
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name2-chloro-4-methoxy-5-(oxiran-2-ylmethoxy)aniline
SMILESCOc1cc(Cl)c(N)cc1OCC1CO1
InChIInChI=1S/C10H12ClNO3/c1-13-9-2-7(11)8(12)3-10(9)15-5-6-4-14-6/h2-3,6H,4-5,12H2,1H3
InChIKeyZNSGCLCNITXRFX-UHFFFAOYSA-N
XLogP1.71
TPSA57.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane
CID 58044663
2-[[2-chloro-4-[2-(3-chloro-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]oxirane
CID 163950191
2,6-dichloro-4-[[(2S)-oxiran-2-yl]methoxy]aniline
CID 58618737
2-amino-4-methoxy-5-(oxolan-2-ylmethoxy)benzoic acid
CID 43380107
4-ethyl-7-methoxy-6-(oxiran-2-ylmethoxy)quinazoline
CID 12799657
2-[(2-methoxy-5-nitrophenoxy)methyl]oxirane
CID 16784964
(2R)-2-[(4,5-dichloro-2-nitrophenoxy)methyl]oxirane
CID 124680795
2-chloro-5-[(2-fluoro-6-methoxyphenyl)methoxy]-4-methoxyaniline
CID 59309657
2-[[6,12,19-triethoxy-13,20-bis(oxiran-2-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]oxirane
CID 102586513
3-methoxy-2-(oxiran-2-ylmethoxy)pyridine
CID 13195077
2-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]oxirane
CID 83943215
2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 121473061

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-5-(oxiran-2-ylmethoxy)aniline?
The IUPAC name of 2-chloro-4-methoxy-5-(oxiran-2-ylmethoxy)aniline (CID 89105920) is 2-chloro-4-methoxy-5-(oxiran-2-ylmethoxy)aniline.
What is the SMILES notation for 2-chloro-4-methoxy-5-(oxiran-2-ylmethoxy)aniline?
The canonical SMILES for 2-chloro-4-methoxy-5-(oxiran-2-ylmethoxy)aniline is COc1cc(Cl)c(N)cc1OCC1CO1.
What is the InChIKey of 2-chloro-4-methoxy-5-(oxiran-2-ylmethoxy)aniline?
The InChIKey is ZNSGCLCNITXRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-13-9-2-7(11)8(12)3-10(9)15-5-6-4-14-6/h2-3,6H,4-5,12H2,1H3.
What are the key properties of 2-chloro-4-methoxy-5-(oxiran-2-ylmethoxy)aniline?
2-chloro-4-methoxy-5-(oxiran-2-ylmethoxy)aniline has a molecular weight of 229.66 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-5-(oxiran-2-ylmethoxy)aniline is sourced from PubChem (CID 89105920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).