2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-5-fluoro-N,N-dimethylaniline

C13H19FN2 — CID 178197536

IUPAC2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-5-fluoro-N,N-dimethylaniline
SMILESCN(C)c1cc(F)ccc1[C@H]1[C@H](N)C1(C)C
InChIInChI=1S/C13H19FN2/c1-13(2)11(12(13)15)9-6-5-8(14)7-10(9)16(3)4/h5-7,11-12H,15H2,1-4H3/t11-,12-/m0/s1
InChIKeyYQKDDQQDZXQFMN-RYUDHWBXSA-N
MW222.31 g/mol
LogP2.34
Rot. Bonds2

About 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-5-fluoro-N,N-dimethylaniline

2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-5-fluoro-N,N-dimethylaniline (PubChem CID 178197536) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-5-fluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-5-fluoro-N,N-dimethylaniline
PubChem CID178197536
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-5-fluoro-N,N-dimethylaniline
SMILESCN(C)c1cc(F)ccc1[C@H]1[C@H](N)C1(C)C
InChIInChI=1S/C13H19FN2/c1-13(2)11(12(13)15)9-6-5-8(14)7-10(9)16(3)4/h5-7,11-12H,15H2,1-4H3/t11-,12-/m0/s1
InChIKeyYQKDDQQDZXQFMN-RYUDHWBXSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[5-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropan-1-amine
CID 178197461
4-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-3-fluorophenol
CID 178197444
2-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-4,6-difluorophenol
CID 178197487
3-(3,5-difluorophenyl)-2,2-dimethylcyclopropan-1-amine
CID 130488414
2-(aminomethyl)-5-fluoro-N,N-dimethylaniline
CID 117110792
2-tert-butyl-5-fluoro-N,N-dimethylaniline
CID 153310692
cis-(1R,3R)-3-(4-bromo-2-chlorophenyl)-2,2-dimethylcyclopropan-1-amine
CID 178197065
4-fluoro-2-N-methyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
CID 62376622
6-fluorospiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine
CID 105463194
2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline
CID 43188896
(1R)-2-(3-fluorophenyl)-2-methylcyclopropan-1-amine
CID 105432735
2-(3-fluorophenyl)-2-methylcyclopropan-1-amine
CID 62387493

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-5-fluoro-N,N-dimethylaniline?
The IUPAC name of 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-5-fluoro-N,N-dimethylaniline (CID 178197536) is 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-5-fluoro-N,N-dimethylaniline.
What is the SMILES notation for 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-5-fluoro-N,N-dimethylaniline?
The canonical SMILES for 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-5-fluoro-N,N-dimethylaniline is CN(C)c1cc(F)ccc1[C@H]1[C@H](N)C1(C)C.
What is the InChIKey of 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-5-fluoro-N,N-dimethylaniline?
The InChIKey is YQKDDQQDZXQFMN-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H19FN2/c1-13(2)11(12(13)15)9-6-5-8(14)7-10(9)16(3)4/h5-7,11-12H,15H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-5-fluoro-N,N-dimethylaniline?
2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-5-fluoro-N,N-dimethylaniline has a molecular weight of 222.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-5-fluoro-N,N-dimethylaniline is sourced from PubChem (CID 178197536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).