2,3-difluoro-4-methoxy-N-propan-2-ylaniline

C10H13F2NO — CID 118342449

IUPAC2,3-difluoro-4-methoxy-N-propan-2-ylaniline
SMILESCOc1ccc(NC(C)C)c(F)c1F
InChIInChI=1S/C10H13F2NO/c1-6(2)13-7-4-5-8(14-3)10(12)9(7)11/h4-6,13H,1-3H3
InChIKeyGVAFJBKXBKYICU-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.79
Rot. Bonds3

About 2,3-difluoro-4-methoxy-N-propan-2-ylaniline

2,3-difluoro-4-methoxy-N-propan-2-ylaniline (PubChem CID 118342449) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2,3-difluoro-4-methoxy-N-propan-2-ylaniline.

Molecular Properties

Compound Name2,3-difluoro-4-methoxy-N-propan-2-ylaniline
PubChem CID118342449
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2,3-difluoro-4-methoxy-N-propan-2-ylaniline
SMILESCOc1ccc(NC(C)C)c(F)c1F
InChIInChI=1S/C10H13F2NO/c1-6(2)13-7-4-5-8(14-3)10(12)9(7)11/h4-6,13H,1-3H3
InChIKeyGVAFJBKXBKYICU-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-N,4-dimethoxyaniline
CID 176996753
N-ethyl-2,3-difluoro-4-methoxyaniline;hydrochloride
CID 174514684
2-chloro-3,4-dimethoxy-N-propan-2-ylaniline
CID 83953548
2-methoxy-4-methyl-N-propan-2-ylaniline
CID 59391426
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,3,4-trifluoroaniline
CID 43759521
1-(1-bromoethyl)-2,3-difluoro-4-methoxybenzene
CID 174526673
3-chloro-2-fluoro-4-methyl-N-propan-2-ylaniline
CID 130917727
2-(2-fluoro-3,6-dimethoxyphenyl)propan-1-ol
CID 117305436
1-(2,3-difluoro-4-methoxyphenyl)-2-methylpropan-1-one
CID 58180939
4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396
5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline
CID 43686566
2,3,4-trifluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43759509

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-methoxy-N-propan-2-ylaniline?
The IUPAC name of 2,3-difluoro-4-methoxy-N-propan-2-ylaniline (CID 118342449) is 2,3-difluoro-4-methoxy-N-propan-2-ylaniline.
What is the SMILES notation for 2,3-difluoro-4-methoxy-N-propan-2-ylaniline?
The canonical SMILES for 2,3-difluoro-4-methoxy-N-propan-2-ylaniline is COc1ccc(NC(C)C)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-methoxy-N-propan-2-ylaniline?
The InChIKey is GVAFJBKXBKYICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-6(2)13-7-4-5-8(14-3)10(12)9(7)11/h4-6,13H,1-3H3.
What are the key properties of 2,3-difluoro-4-methoxy-N-propan-2-ylaniline?
2,3-difluoro-4-methoxy-N-propan-2-ylaniline has a molecular weight of 201.22 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-methoxy-N-propan-2-ylaniline is sourced from PubChem (CID 118342449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).