4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline

C12H19FN2 — CID 171227521

IUPAC4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc([C@@H](N)CF)cc1
InChIInChI=1S/C12H19FN2/c1-3-15(4-2)11-7-5-10(6-8-11)12(14)9-13/h5-8,12H,3-4,9,14H2,1-2H3/t12-/m0/s1
InChIKeyKYHKTWOMFWKPJB-LBPRGKRZSA-N
MW210.30 g/mol
LogP2.50
Rot. Bonds5

About 4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline

4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline (PubChem CID 171227521) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline
PubChem CID171227521
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc([C@@H](N)CF)cc1
InChIInChI=1S/C12H19FN2/c1-3-15(4-2)11-7-5-10(6-8-11)12(14)9-13/h5-8,12H,3-4,9,14H2,1-2H3/t12-/m0/s1
InChIKeyKYHKTWOMFWKPJB-LBPRGKRZSA-N
XLogP2.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[4-(diethylamino)phenyl]propane-1,3-diamine;hydrochloride
CID 171207945
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-N,N-diethylaniline;hydrochloride
CID 171227547
4-[(1S)-1-amino-3-methylbutyl]-N,N-diethylaniline;hydrochloride
CID 171227543
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline
CID 66511663
4-(difluoromethyl)-N,N-diethylaniline
CID 154791327
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-[amino(phenyl)methyl]-N,N-diethylaniline
CID 154345063
methyl (3S)-3-amino-3-[4-(diethylamino)phenyl]propanoate
CID 165494439
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
methyl (3S)-3-amino-3-[4-(diethylamino)phenyl]propanoate;hydrochloride
CID 171242319
4-[[4-(diethylamino)phenyl]-hydrazinylmethyl]-N,N-diethylaniline
CID 53403073
(1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine
CID 124704459

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline?
The IUPAC name of 4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline (CID 171227521) is 4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline?
The canonical SMILES for 4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline is CCN(CC)c1ccc([C@@H](N)CF)cc1.
What is the InChIKey of 4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline?
The InChIKey is KYHKTWOMFWKPJB-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19FN2/c1-3-15(4-2)11-7-5-10(6-8-11)12(14)9-13/h5-8,12H,3-4,9,14H2,1-2H3/t12-/m0/s1.
What are the key properties of 4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline?
4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline has a molecular weight of 210.30 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline is sourced from PubChem (CID 171227521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).