(2-fluoro-5-methylphenyl)methanamine;hydrochloride

C8H11ClFN — CID 117064774

IUPAC(2-fluoro-5-methylphenyl)methanamine;hydrochloride
SMILESCc1ccc(F)c(CN)c1.Cl
InChIInChI=1S/C8H10FN.ClH/c1-6-2-3-8(9)7(4-6)5-10;/h2-4H,5,10H2,1H3;1H
InChIKeyAXNXFRYSKGHMTQ-UHFFFAOYSA-N
MW175.63 g/mol
LogP2.01
Rot. Bonds1

About (2-fluoro-5-methylphenyl)methanamine;hydrochloride

(2-fluoro-5-methylphenyl)methanamine;hydrochloride (PubChem CID 117064774) has the molecular formula C8H11ClFN and a molecular weight of 175.63 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)methanamine;hydrochloride
PubChem CID117064774
Molecular FormulaC8H11ClFN
Molecular Weight175.63 g/mol
Exact Mass175.06
IUPAC Name(2-fluoro-5-methylphenyl)methanamine;hydrochloride
SMILESCc1ccc(F)c(CN)c1.Cl
InChIInChI=1S/C8H10FN.ClH/c1-6-2-3-8(9)7(4-6)5-10;/h2-4H,5,10H2,1H3;1H
InChIKeyAXNXFRYSKGHMTQ-UHFFFAOYSA-N
XLogP2.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.63
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)methanamine;hydrochloride?
The IUPAC name of (2-fluoro-5-methylphenyl)methanamine;hydrochloride (CID 117064774) is (2-fluoro-5-methylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (2-fluoro-5-methylphenyl)methanamine;hydrochloride?
The canonical SMILES for (2-fluoro-5-methylphenyl)methanamine;hydrochloride is Cc1ccc(F)c(CN)c1.Cl.
What is the InChIKey of (2-fluoro-5-methylphenyl)methanamine;hydrochloride?
The InChIKey is AXNXFRYSKGHMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN.ClH/c1-6-2-3-8(9)7(4-6)5-10;/h2-4H,5,10H2,1H3;1H.
What are the key properties of (2-fluoro-5-methylphenyl)methanamine;hydrochloride?
(2-fluoro-5-methylphenyl)methanamine;hydrochloride has a molecular weight of 175.63 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 117064774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).