2-[(1-aminocyclopropyl)methyl]-3-fluoro-N,N-dimethylaniline

C12H17FN2 — CID 117297854

IUPAC2-[(1-aminocyclopropyl)methyl]-3-fluoro-N,N-dimethylaniline
SMILESCN(C)c1cccc(F)c1CC1(N)CC1
InChIInChI=1S/C12H17FN2/c1-15(2)11-5-3-4-10(13)9(11)8-12(14)6-7-12/h3-5H,6-8,14H2,1-2H3
InChIKeyVSZQDBXBIMNKAA-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.93
Rot. Bonds3

About 2-[(1-aminocyclopropyl)methyl]-3-fluoro-N,N-dimethylaniline

2-[(1-aminocyclopropyl)methyl]-3-fluoro-N,N-dimethylaniline (PubChem CID 117297854) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-[(1-aminocyclopropyl)methyl]-3-fluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[(1-aminocyclopropyl)methyl]-3-fluoro-N,N-dimethylaniline
PubChem CID117297854
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name2-[(1-aminocyclopropyl)methyl]-3-fluoro-N,N-dimethylaniline
SMILESCN(C)c1cccc(F)c1CC1(N)CC1
InChIInChI=1S/C12H17FN2/c1-15(2)11-5-3-4-10(13)9(11)8-12(14)6-7-12/h3-5H,6-8,14H2,1-2H3
InChIKeyVSZQDBXBIMNKAA-UHFFFAOYSA-N
XLogP1.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(1-aminocyclopropyl)methyl]-3-fluoro-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O-[[2-(dimethylamino)-6-fluorophenyl]methyl]hydroxylamine
CID 117279902
1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114931200
2-[2-(dimethylamino)-6-fluorophenyl]acetic acid
CID 19899901
1-[2-(2-fluoro-6-methylphenyl)ethyl]cyclopropan-1-amine
CID 105447363
1-[(2,6-difluoro-3-methylsulfanylphenyl)methyl]cyclopropan-1-amine
CID 117330846
1-[(2-chloro-6-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115999473
[2-[amino(methyl)amino]-6-fluorophenyl]methanol
CID 144830729
3-fluoro-2-(1-isocyanatocyclopropyl)-N,N-dimethylaniline
CID 117314059
1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine
CID 117337409
2-(4-aminobutan-2-yl)-3-fluoro-N,N-dimethylaniline
CID 117300770
2-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 56604751
1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117303787

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclopropyl)methyl]-3-fluoro-N,N-dimethylaniline?
The IUPAC name of 2-[(1-aminocyclopropyl)methyl]-3-fluoro-N,N-dimethylaniline (CID 117297854) is 2-[(1-aminocyclopropyl)methyl]-3-fluoro-N,N-dimethylaniline.
What is the SMILES notation for 2-[(1-aminocyclopropyl)methyl]-3-fluoro-N,N-dimethylaniline?
The canonical SMILES for 2-[(1-aminocyclopropyl)methyl]-3-fluoro-N,N-dimethylaniline is CN(C)c1cccc(F)c1CC1(N)CC1.
What is the InChIKey of 2-[(1-aminocyclopropyl)methyl]-3-fluoro-N,N-dimethylaniline?
The InChIKey is VSZQDBXBIMNKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-15(2)11-5-3-4-10(13)9(11)8-12(14)6-7-12/h3-5H,6-8,14H2,1-2H3.
What are the key properties of 2-[(1-aminocyclopropyl)methyl]-3-fluoro-N,N-dimethylaniline?
2-[(1-aminocyclopropyl)methyl]-3-fluoro-N,N-dimethylaniline has a molecular weight of 208.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclopropyl)methyl]-3-fluoro-N,N-dimethylaniline is sourced from PubChem (CID 117297854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).