4-[(2S)-2-amino-3-fluoropropyl]-N,N-dimethylaniline

C11H17FN2 — CID 89225584

IUPAC4-[(2S)-2-amino-3-fluoropropyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C[C@H](N)CF)cc1
InChIInChI=1S/C11H17FN2/c1-14(2)11-5-3-9(4-6-11)7-10(13)8-12/h3-6,10H,7-8,13H2,1-2H3/t10-/m0/s1
InChIKeyINPNLBNYTIKJPS-JTQLQIEISA-N
MW196.27 g/mol
LogP1.59
Rot. Bonds4

About 4-[(2S)-2-amino-3-fluoropropyl]-N,N-dimethylaniline

4-[(2S)-2-amino-3-fluoropropyl]-N,N-dimethylaniline (PubChem CID 89225584) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 4-[(2S)-2-amino-3-fluoropropyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(2S)-2-amino-3-fluoropropyl]-N,N-dimethylaniline
PubChem CID89225584
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name4-[(2S)-2-amino-3-fluoropropyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C[C@H](N)CF)cc1
InChIInChI=1S/C11H17FN2/c1-14(2)11-5-3-9(4-6-11)7-10(13)8-12/h3-6,10H,7-8,13H2,1-2H3/t10-/m0/s1
InChIKeyINPNLBNYTIKJPS-JTQLQIEISA-N
XLogP1.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.59
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

4-(2-amino-3-methylbutyl)-N,N-dimethylaniline
CID 115347408
4-amino-5-[4-(dimethylamino)phenyl]pentanoic acid
CID 55154057
[4-[4-(2-amino-3-fluoropropyl)phenyl]phenyl]methanol;ethane;methanol
CID 143418287
2-[[4-(dimethylamino)phenyl]methyl]propanedioic acid
CID 15120645
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 7567
4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline
CID 82139525
N-[4-[(2S)-2-amino-3-fluoropropyl]phenyl]acetamide
CID 71050354
(2R)-2-(aminomethyl)-3-[4-(dimethylamino)phenyl]propanoic acid
CID 42079765
4-(2-aminobutyl)-N-ethyl-N-propylaniline
CID 55237765
4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride
CID 123134602
2-chloro-1-[4-(dimethylamino)phenyl]-4,4-dimethylpentan-3-one
CID 82184945
4-(2-aminobutyl)-N-(2,2-dimethylpropyl)-N-methylaniline
CID 55237009

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-3-fluoropropyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(2S)-2-amino-3-fluoropropyl]-N,N-dimethylaniline (CID 89225584) is 4-[(2S)-2-amino-3-fluoropropyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(2S)-2-amino-3-fluoropropyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(2S)-2-amino-3-fluoropropyl]-N,N-dimethylaniline is CN(C)c1ccc(C[C@H](N)CF)cc1.
What is the InChIKey of 4-[(2S)-2-amino-3-fluoropropyl]-N,N-dimethylaniline?
The InChIKey is INPNLBNYTIKJPS-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17FN2/c1-14(2)11-5-3-9(4-6-11)7-10(13)8-12/h3-6,10H,7-8,13H2,1-2H3/t10-/m0/s1.
What are the key properties of 4-[(2S)-2-amino-3-fluoropropyl]-N,N-dimethylaniline?
4-[(2S)-2-amino-3-fluoropropyl]-N,N-dimethylaniline has a molecular weight of 196.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-3-fluoropropyl]-N,N-dimethylaniline is sourced from PubChem (CID 89225584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).