4-[(1S)-1-amino-3-fluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride

C11H17Cl2FN2 — CID 171232241

IUPAC4-[(1S)-1-amino-3-fluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride
SMILESCN(C)c1ccc([C@@H](N)CCF)c(Cl)c1.Cl
InChIInChI=1S/C11H16ClFN2.ClH/c1-15(2)8-3-4-9(10(12)7-8)11(14)5-6-13;/h3-4,7,11H,5-6,14H2,1-2H3;1H/t11-;/m0./s1
InChIKeyFXAVCOSMGZNTFR-MERQFXBCSA-N
MW267.18 g/mol
LogP3.19
Rot. Bonds4

About 4-[(1S)-1-amino-3-fluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride

4-[(1S)-1-amino-3-fluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride (PubChem CID 171232241) has the molecular formula C11H17Cl2FN2 and a molecular weight of 267.18 g/mol. Its IUPAC name is 4-[(1S)-1-amino-3-fluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride.

Molecular Properties

Compound Name4-[(1S)-1-amino-3-fluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride
PubChem CID171232241
Molecular FormulaC11H17Cl2FN2
Molecular Weight267.18 g/mol
Exact Mass266.08
IUPAC Name4-[(1S)-1-amino-3-fluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride
SMILESCN(C)c1ccc([C@@H](N)CCF)c(Cl)c1.Cl
InChIInChI=1S/C11H16ClFN2.ClH/c1-15(2)8-3-4-9(10(12)7-8)11(14)5-6-13;/h3-4,7,11H,5-6,14H2,1-2H3;1H/t11-;/m0./s1
InChIKeyFXAVCOSMGZNTFR-MERQFXBCSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-amino-4,4,4-trifluorobutyl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171212633
(1S)-1-[2-chloro-4-(dimethylamino)phenyl]pentane-1,5-diamine
CID 171232219
(4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride
CID 171212662
4-[(1R)-1-aminopent-4-enyl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171212647
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171232237
2-amino-2-[2-chloro-4-(dimethylamino)phenyl]ethanol
CID 130060474
(1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131303992
4-[(1R)-1-amino-2-cyclopropylethyl]-3-chloro-N,N-dimethylaniline
CID 171212628
methyl (3R)-3-amino-3-[2-chloro-4-(dimethylamino)phenyl]propanoate
CID 171250563
4-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-N,N-dimethylaniline
CID 131256078
(3R)-3-amino-3-[2-chloro-4-(dimethylamino)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171250576
(1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171212529

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-3-fluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride?
The IUPAC name of 4-[(1S)-1-amino-3-fluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride (CID 171232241) is 4-[(1S)-1-amino-3-fluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride.
What is the SMILES notation for 4-[(1S)-1-amino-3-fluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride?
The canonical SMILES for 4-[(1S)-1-amino-3-fluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride is CN(C)c1ccc([C@@H](N)CCF)c(Cl)c1.Cl.
What is the InChIKey of 4-[(1S)-1-amino-3-fluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride?
The InChIKey is FXAVCOSMGZNTFR-MERQFXBCSA-N. The full InChI is InChI=1S/C11H16ClFN2.ClH/c1-15(2)8-3-4-9(10(12)7-8)11(14)5-6-13;/h3-4,7,11H,5-6,14H2,1-2H3;1H/t11-;/m0./s1.
What are the key properties of 4-[(1S)-1-amino-3-fluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride?
4-[(1S)-1-amino-3-fluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride has a molecular weight of 267.18 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-3-fluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride is sourced from PubChem (CID 171232241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).