4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline

C12H16F2N2 — CID 63051609

IUPAC4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline
SMILESCN(C)c1c(F)cc(CNC2CC2)cc1F
InChIInChI=1S/C12H16F2N2/c1-16(2)12-10(13)5-8(6-11(12)14)7-15-9-3-4-9/h5-6,9,15H,3-4,7H2,1-2H3
InChIKeyAWQBDGKHKHGCRA-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.28
Rot. Bonds4

About 4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline

4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline (PubChem CID 63051609) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline
PubChem CID63051609
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline
SMILESCN(C)c1c(F)cc(CNC2CC2)cc1F
InChIInChI=1S/C12H16F2N2/c1-16(2)12-10(13)5-8(6-11(12)14)7-15-9-3-4-9/h5-6,9,15H,3-4,7H2,1-2H3
InChIKeyAWQBDGKHKHGCRA-UHFFFAOYSA-N
XLogP2.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline
CID 63052431
4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 63051095
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline
CID 63051957
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-2,6-difluoro-N-methylaniline
CID 63052625
1-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylanilino]-2-methylpropan-2-ol
CID 79390187
N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine
CID 79891880
4-[(tert-butylamino)methyl]-2,6-difluoro-N,N-dimethylaniline
CID 63060715
2-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-propan-2-ylanilino]acetamide
CID 63077147
N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]cyclopropanamine
CID 63051584
3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline
CID 106532184
N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine
CID 79891658
[4-[(cyclopropylamino)methyl]-2-fluorophenyl]boronic acid
CID 56776658

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline?
The IUPAC name of 4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline (CID 63051609) is 4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline is CN(C)c1c(F)cc(CNC2CC2)cc1F.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline?
The InChIKey is AWQBDGKHKHGCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-16(2)12-10(13)5-8(6-11(12)14)7-15-9-3-4-9/h5-6,9,15H,3-4,7H2,1-2H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline?
4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline has a molecular weight of 226.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline is sourced from PubChem (CID 63051609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).