(1R)-1-(2,6-dimethylphenyl)-3-fluoropropan-1-amine;hydrochloride

C11H17ClFN — CID 171204326

IUPAC(1R)-1-(2,6-dimethylphenyl)-3-fluoropropan-1-amine;hydrochloride
SMILESCc1cccc(C)c1[C@H](N)CCF.Cl
InChIInChI=1S/C11H16FN.ClH/c1-8-4-3-5-9(2)11(8)10(13)6-7-12;/h3-5,10H,6-7,13H2,1-2H3;1H/t10-;/m1./s1
InChIKeyAHWLSNDPYUPRPS-HNCPQSOCSA-N
MW217.72 g/mol
LogP3.08
Rot. Bonds3

About (1R)-1-(2,6-dimethylphenyl)-3-fluoropropan-1-amine;hydrochloride

(1R)-1-(2,6-dimethylphenyl)-3-fluoropropan-1-amine;hydrochloride (PubChem CID 171204326) has the molecular formula C11H17ClFN and a molecular weight of 217.72 g/mol. Its IUPAC name is (1R)-1-(2,6-dimethylphenyl)-3-fluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,6-dimethylphenyl)-3-fluoropropan-1-amine;hydrochloride
PubChem CID171204326
Molecular FormulaC11H17ClFN
Molecular Weight217.72 g/mol
Exact Mass217.10
IUPAC Name(1R)-1-(2,6-dimethylphenyl)-3-fluoropropan-1-amine;hydrochloride
SMILESCc1cccc(C)c1[C@H](N)CCF.Cl
InChIInChI=1S/C11H16FN.ClH/c1-8-4-3-5-9(2)11(8)10(13)6-7-12;/h3-5,10H,6-7,13H2,1-2H3;1H/t10-;/m1./s1
InChIKeyAHWLSNDPYUPRPS-HNCPQSOCSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropan-1-amine
CID 131449010
1-(2,6-dimethylphenyl)-2-fluoroethanamine
CID 130061517
1-(2,6-dimethylphenyl)butan-1-amine
CID 55283008
(1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine
CID 171223884
(3S)-3-amino-3-(2,6-dimethylphenyl)propan-1-ol
CID 130664971
(1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171220717
1-(2,6-dimethylphenyl)propan-1-amine
CID 55282920
(1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine
CID 130854028
(1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209882
(1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171200162
(1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171226427
bis[2-amino-2-(2,6-dimethylphenyl)ethyl]azanide;cobalt
CID 66809098

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-dimethylphenyl)-3-fluoropropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2,6-dimethylphenyl)-3-fluoropropan-1-amine;hydrochloride (CID 171204326) is (1R)-1-(2,6-dimethylphenyl)-3-fluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,6-dimethylphenyl)-3-fluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2,6-dimethylphenyl)-3-fluoropropan-1-amine;hydrochloride is Cc1cccc(C)c1[C@H](N)CCF.Cl.
What is the InChIKey of (1R)-1-(2,6-dimethylphenyl)-3-fluoropropan-1-amine;hydrochloride?
The InChIKey is AHWLSNDPYUPRPS-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H16FN.ClH/c1-8-4-3-5-9(2)11(8)10(13)6-7-12;/h3-5,10H,6-7,13H2,1-2H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(2,6-dimethylphenyl)-3-fluoropropan-1-amine;hydrochloride?
(1R)-1-(2,6-dimethylphenyl)-3-fluoropropan-1-amine;hydrochloride has a molecular weight of 217.72 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,6-dimethylphenyl)-3-fluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171204326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).