2,5-difluoro-4-methoxy-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline

C13H18F2N2O — CID 115244554

IUPAC2,5-difluoro-4-methoxy-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
SMILESCNCC1(CNc2cc(F)c(OC)cc2F)CC1
InChIInChI=1S/C13H18F2N2O/c1-16-7-13(3-4-13)8-17-11-5-10(15)12(18-2)6-9(11)14/h5-6,16-17H,3-4,7-8H2,1-2H3
InChIKeyILYJFCNQMKSNKX-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.38
Rot. Bonds6

About 2,5-difluoro-4-methoxy-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline

2,5-difluoro-4-methoxy-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline (PubChem CID 115244554) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2,5-difluoro-4-methoxy-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline.

Molecular Properties

Compound Name2,5-difluoro-4-methoxy-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
PubChem CID115244554
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2,5-difluoro-4-methoxy-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
SMILESCNCC1(CNc2cc(F)c(OC)cc2F)CC1
InChIInChI=1S/C13H18F2N2O/c1-16-7-13(3-4-13)8-17-11-5-10(15)12(18-2)6-9(11)14/h5-6,16-17H,3-4,7-8H2,1-2H3
InChIKeyILYJFCNQMKSNKX-UHFFFAOYSA-N
XLogP2.38
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(chloromethyl)-2,5-difluoro-4-methoxyaniline
CID 115262759
[1-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclopropyl]methanol
CID 107259483
2,5-difluoro-4-methoxy-N-methylaniline
CID 82648042
2,5-difluoro-4-methoxy-N-(2,2,2-trifluoroethyl)aniline
CID 115257699
2-(2,5-difluoro-4-methoxyanilino)ethanol
CID 82648067
1-N-(2,5-difluoro-4-methoxyphenyl)-3-methylbutane-1,3-diamine
CID 115200419
2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244536
1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]-N-methylmethanamine
CID 116869308
5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246032
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-fluoro-4-methoxyaniline
CID 115243825
3-(2,5-difluoro-4-methoxyanilino)propane-1,2-diol
CID 115121931
1-N-(2,5-difluoro-4-methoxyphenyl)-4-methylpentane-1,4-diamine
CID 115205186

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-methoxy-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline?
The IUPAC name of 2,5-difluoro-4-methoxy-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline (CID 115244554) is 2,5-difluoro-4-methoxy-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline.
What is the SMILES notation for 2,5-difluoro-4-methoxy-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline?
The canonical SMILES for 2,5-difluoro-4-methoxy-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline is CNCC1(CNc2cc(F)c(OC)cc2F)CC1.
What is the InChIKey of 2,5-difluoro-4-methoxy-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline?
The InChIKey is ILYJFCNQMKSNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-16-7-13(3-4-13)8-17-11-5-10(15)12(18-2)6-9(11)14/h5-6,16-17H,3-4,7-8H2,1-2H3.
What are the key properties of 2,5-difluoro-4-methoxy-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline?
2,5-difluoro-4-methoxy-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline has a molecular weight of 256.30 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-methoxy-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline is sourced from PubChem (CID 115244554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).