(1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride

C10H15ClFN — CID 171209882

IUPAC(1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
SMILESCc1cccc([C@H](N)CCF)c1.Cl
InChIInChI=1S/C10H14FN.ClH/c1-8-3-2-4-9(7-8)10(12)5-6-11;/h2-4,7,10H,5-6,12H2,1H3;1H/t10-;/m1./s1
InChIKeyFJCHUEZVUAYXLU-HNCPQSOCSA-N
MW203.69 g/mol
LogP2.78
Rot. Bonds3

About (1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride

(1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride (PubChem CID 171209882) has the molecular formula C10H15ClFN and a molecular weight of 203.69 g/mol. Its IUPAC name is (1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
PubChem CID171209882
Molecular FormulaC10H15ClFN
Molecular Weight203.69 g/mol
Exact Mass203.09
IUPAC Name(1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
SMILESCc1cccc([C@H](N)CCF)c1.Cl
InChIInChI=1S/C10H14FN.ClH/c1-8-3-2-4-9(7-8)10(12)5-6-11;/h2-4,7,10H,5-6,12H2,1H3;1H/t10-;/m1./s1
InChIKeyFJCHUEZVUAYXLU-HNCPQSOCSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-methylphenyl)butane-1,4-diamine
CID 171229474
(1R)-1-(3-methylphenyl)pentane-1,5-diamine
CID 171209871
(4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride
CID 171209897
(1R)-1-(3-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171209890
(1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209879
2-(2,2-difluoroethoxy)-1-(3-methylphenyl)ethanamine
CID 82003944
[3-[(1S)-1-amino-3-fluoropropyl]phenyl] acetate;hydrochloride
CID 171229351
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
ethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine
CID 156724875
(3S)-3-amino-3-(3-methylphenyl)propanenitrile;hydrochloride
CID 171260081
(1R)-1-(2,6-dimethylphenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171204326
1-(3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 116945810

Frequently Asked Questions

What is the IUPAC name of (1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride (CID 171209882) is (1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride is Cc1cccc([C@H](N)CCF)c1.Cl.
What is the InChIKey of (1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride?
The InChIKey is FJCHUEZVUAYXLU-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H14FN.ClH/c1-8-3-2-4-9(7-8)10(12)5-6-11;/h2-4,7,10H,5-6,12H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride?
(1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride has a molecular weight of 203.69 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171209882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).